SCHEMBL2176039

SCHEMBL2176039

Cc1nc2cccnc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
POLB P06746 1/20 0.54
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.45
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
KDM4E B2RXH2 5/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
RUNX1 Q01196 2/20 0.44
CBFB Q13951 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 3/20 0.42
TP53 P04637 3/20 0.39
LIMK1 P53667 1/20 0.39

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
SCHEMBL29390917 1.00 PDK1 (0.58) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL13053007 0.77 NPC1 (0.52) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL13052988 0.77 NPC1 (0.52) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL30190003 0.77 PDK1 (0.60) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL140126 0.77 PDK1 (0.60) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL23643784 0.75 POLB (0.41) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL21788715 0.75 POLB (0.44) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL137507 0.75 PDK1 (0.58) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL2642887 0.75 PDK1 (0.58) PDK1POLBNPC1SMN1; SMN2RAB9A
SCHEMBL369133 0.75 PDK1 (0.58) PDK1POLBNPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2025-03-27 US disclosed
WO-2024118488-A1 2-PHENYLMORPHOLINE AND 2-PHENYL(THIO)MORPHOLINE COMPOUNDS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-06-06 WO disclosed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 US disclosed
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2024-02-13 US disclosed
US-11829036-B2 Optically anisotropic multilayer product and method for producing same ZEON CORPORATION (JP) 2023-11-28 US disclosed
US-20230357188-A1 PHENANTHRENE ORGANIC COMPOUND AND USE THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-11-09 US disclosed
US-20230322754-A1 IRAK INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-4242198-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS XIV BASF SE (DE) 2023-09-13 EP disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 US disclosed
US-5385897-A 3-(3-quaternary ammonium prop-1-enyl), 7-((2-(aminothiazol-4-yl), 2-(alkoxyimino)acetamido)-3-isocephems; penicillin-resistant staphylococcus ROUSSEL-UCLAF (FR) 1995-01-31 US disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 WO disclosed
EP-0604114-A1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1994-06-29 EP disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0214029-B1 1-DETHIA-2-THIA CEPHALOSPORANIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-03-25 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
EP-0214029-A1 1-Dethia-2-thia cephalosporanic-acid derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1987-03-11 EP 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 (6 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B PDK1 2804/4885POLB 2923/4885NPC1 290/4885
US-20230322754-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 794/4885POLB 2535/4885NPC1 1962/4885
US-20230357188-A1 PHENANTHRENE ORGANIC COMPOUND AND USE THEREOF AHR, ORAI3, WNT3 PDK1 3363/4885POLB 2432/4885NPC1 2396/4885
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor TK2, TYMP, DPYD PDK1 49/4885POLB 2315/4885NPC1 2300/4885
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 PDK1 924/4885POLB 2645/4885NPC1 2546/4885
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 PDK1 924/4885POLB 2645/4885NPC1 2546/4885

“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.