SCHEMBL2705690

SCHEMBL2705690

CC(C)(C)c1nc2cccnc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
POLB P06746 1/20 0.50
NPC1 O15118 10/20 0.45
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 3/20 0.40
GLA P06280 3/20 0.40
RUNX1 Q01196 3/20 0.40
CBFB Q13951 3/20 0.40
HPGD P15428 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23862103 0.83 POLB (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL22488059 0.83 POLB (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1665445 0.81 PDK1 (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL20312936 0.80 POLB (0.50) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL23843281 0.79 PDK1 (0.39) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL20312949 0.78 NPC1 (0.53) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL22487970 0.75 NPC1 (0.50) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL29390917 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2176039 0.75 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1002931 0.74 PDK1 (0.73) PDK1POLBNPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20220017510-A1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2022-01-20 US disclosed
EP-3317273-B1 INHIBITORS OF EGFR AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2021-12-29 EP disclosed
US-11161842-B2 Bifunctional molecules for degradation of EGFR and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-02 US disclosed
US-11129814-B2 Antimicrobial agents TAXIS PHARMACEUTICALS, INC. (US) 2021-09-28 US disclosed
EP-3445357-B1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2021-05-26 EP disclosed
US-10995090-B2 Substituted dihydrobenzofuran glycosidase inhibitors ASCENEURON SA (CH) 2021-05-04 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PDK1 3352/4885POLB 2083/4885NPC1 896/4885
US-20220017510-A1 BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE EGFR, ERBB2, ERBB3 PDK1 3087/4885POLB 2404/4885NPC1 3629/4885
US-11129814-B2 Antimicrobial agents MRPL21, SPOUT1, LSS PDK1 3959/4885POLB 186/4885NPC1 761/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M PDK1 3234/4885POLB 2510/4885NPC1 1818/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PDK1 3352/4885POLB 2083/4885NPC1 896/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 PDK1 636/4885POLB 1822/4885NPC1 4023/4885
US-11161842-B2 Bifunctional molecules for degradation of EGFR and methods of use EGFR, ERBB2, ERBB3 PDK1 3087/4885POLB 2404/4885NPC1 3629/4885
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR PDK1 2175/4885POLB 3988/4885NPC1 2128/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH PDK1 92/4885POLB 442/4885NPC1 4280/4885
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, WEE1, SHBG PDK1 177/4885POLB 3238/4885NPC1 643/4885
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 PDK1 3572/4885POLB 1175/4885NPC1 2023/4885
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS MAP3K20, MAP4K2, MAP3K13 PDK1 304/4885POLB 2559/4885NPC1 3227/4885
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS PDK1 4406/4885POLB 3982/4885NPC1 2752/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PDK1 4131/4885POLB 364/4885NPC1 1400/4885
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB PDK1 412/4885POLB 2724/4885NPC1 2325/4885
US-10995090-B2 Substituted dihydrobenzofuran glycosidase inhibitors GAA, ENGASE, BACE1 PDK1 2313/4885POLB 1787/4885NPC1 678/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.