SCHEMBL2739660

SCHEMBL2739660

CC(C)(C)c1ccc(C#N)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
AR P10275 1/20 0.41
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DGAT1 O75907 1/20 0.38
CHEK1 O14757 3/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
DHODH Q02127 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TYR P14679 1/20 0.33
GRM2 Q14416 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL17806570 0.85 KIF11 (0.56) KIF11ARLMNAALDH1A1HPGD
SCHEMBL1584633 0.84 DGAT1 (0.42) KIF11ARDGAT1CHEK1EGLN2
SCHEMBL19786225 0.82 DGAT1 (0.32) KIF11ARDGAT1
SCHEMBL18745830 0.81 AR (0.40) ARLMNASMN1; SMN2DGAT1CHEK1
SCHEMBL2553743 0.79 DGAT1 (0.50) KIF11ALDH1A1SMN1; SMN2NPSR1DGAT1
SCHEMBL4365411 0.79 TSHR (0.34) KIF11LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL14946756 0.79 GRM5 (0.39) KIF11LMNAALDH1A1HPGDDGAT1
SCHEMBL30841758 0.79 DGAT1 (0.50) KIF11ALDH1A1SMN1; SMN2NPSR1DGAT1
SCHEMBL11533562 0.79 CHEK1 (0.43) KIF11ARALDH1A1NPSR1DGAT1
SCHEMBL20858055 0.78 AR (0.33) ARCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-12-05 US disclosed
US-11832510-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-28 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230321056-A1 Methods for Treating Metastasis with Cathepsin C Inhibitors Shanghai Institute of nutrition and health, Chinese Academy of Sciences (CN) 2023-10-12 US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7384947-B2 Fused tricyclic heterocycles useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2008-06-10 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 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 (14 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA KIF11 4257/4885AR 2775/4885LMNA 4705/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 KIF11 3410/4885AR 363/4885LMNA 3446/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 KIF11 3116/4885AR 251/4885LMNA 4504/4885
US-11834424-B2 Compounds useful as chaperone-mediated autophagy modulators SQSTM1, HSPA5, ATG7 KIF11 2234/4885AR 4446/4885LMNA 3765/4885
US-11832510-B2 Organic electroluminescent materials and devices OSBP, OCIAD2, OCIAD1 KIF11 2437/4885AR 3376/4885LMNA 2853/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 KIF11 4788/4885AR 93/4885LMNA 3994/4885
US-20230321056-A1 Methods for Treating Metastasis with Cathepsin C Inhibitors MMP8, CTSS, CTSF KIF11 1604/4885AR 3441/4885LMNA 655/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 KIF11 4039/4885AR 4609/4885LMNA 1033/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP KIF11 1631/4885AR 3407/4885LMNA 1340/4885
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR KIF11 3844/4885AR 32/4885LMNA 4147/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 KIF11 3419/4885AR 1721/4885LMNA 3477/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 KIF11 524/4885AR 4386/4885LMNA 1614/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 KIF11 4039/4885AR 4609/4885LMNA 1033/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KIF11 2375/4885AR 1284/4885LMNA 1922/4885

“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.