SCHEMBL1623940

SCHEMBL1623940

CC(C)(C)c1ccc(-c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 1.00
CYP2A6 P11509 4/20 0.60
CYP3A4 P08684 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
MKNK1 Q9BUB5 4/20 0.53
MKNK2 Q9HBH9 4/20 0.53
CYP11B2 P19099 1/20 0.52
GPR55 Q9Y2T6 1/20 0.50
MAP3K5 Q99683 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL23666164 1.00 KIF11 (1.00) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL2250286 0.91 KIF11 (0.83) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL24977263 0.90 KIF11 (0.81) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL20371363 0.88 KIF11 (0.78) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL25390854 0.88 KIF11 (0.78) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL13726280 0.86 KIF11 (0.73) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL19735248 0.85 KIF11 (0.74) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL20805743 0.85 KIF11 (0.74) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL4502483 0.85 KIF11 (0.73) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL17680285 0.85 KIF11 (0.73) KIF11CYP2A6CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2023-10-05 US disclosed
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2023-10-05 US disclosed
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-11760817-B2 Mass polymerizable polycycloolefin compositions containing soluble photoacid generators PROMERUS, LLC (US) 2023-09-19 US disclosed
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-11723268-B2 Organic light-emitting element LG CHEM, LTD. 2023-08-08 US disclosed
US-11723268-B2 Organic light-emitting element LG CHEM, LTD. 2023-08-08 US disclosed
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-11700768-B2 Compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-07-11 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 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 (12 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 KIF11 1496/4885CYP2A6 3496/4885CYP3A4 4450/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KIF11 3394/4885CYP2A6 4656/4885CYP3A4 4706/4885
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A KIF11 3370/4885CYP2A6 3460/4885CYP3A4 4184/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 KIF11 1491/4885CYP2A6 4390/4885CYP3A4 4595/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 KIF11 1496/4885CYP2A6 3496/4885CYP3A4 4450/4885
US-11700768-B2 Compound and organic light emitting device comprising the same ARL1, ARRB1, CRY1 KIF11 4237/4885CYP2A6 1791/4885CYP3A4 769/4885
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device EXOC1, NOS1, EXOSC10 KIF11 3575/4885CYP2A6 4002/4885CYP3A4 2434/4885
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 KIF11 1377/4885CYP2A6 218/4885CYP3A4 3727/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 KIF11 4574/4885CYP2A6 1415/4885CYP3A4 800/4885
US-20230301184-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS THEREOF OCIAD1, OCIAD2, OSTC KIF11 2584/4885CYP2A6 812/4885CYP3A4 75/4885
US-11760817-B2 Mass polymerizable polycycloolefin compositions containing soluble photoacid generators PPOX, VCL, PFN1 KIF11 1890/4885CYP2A6 4320/4885CYP3A4 3186/4885
US-11723268-B2 Organic light-emitting element CRY2, NR2E3, CRY1 KIF11 3531/4885CYP2A6 524/4885CYP3A4 369/4885

“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.