SCHEMBL9910072

SCHEMBL9910072

CC(C)(C)c1cccc2c1CCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
OPRK1 P41145 1/20 0.45
KIF11 P52732 1/20 0.42
DHPS P49366 1/20 0.41

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
SCHEMBL27418880 0.87 CA2 (0.41) ADRB2ADRB1HTR1AOPRK1KIF11
SCHEMBL13801874 0.84 DHPS (0.51) HTR1AOPRK1DHPS
SCHEMBL9924348 0.79 CA2 (0.35) KIF11DHPS
SCHEMBL29754448 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1764170 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22928146 0.76 CREBBP (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL19386411 0.76 HTR1A (0.45) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3212527 0.75 NPC1 (0.44) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL20777508 0.74 HTR1A (0.33) ADRB2ADRB1HTR1AOPRK1
SCHEMBL3593984 0.74 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
WO-2020156162-A1 MEK INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2020-08-06 WO disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8212041-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-03 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8198448-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-06-12 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 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 (15 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-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NPC1 287/4885MAPK13 2544/4885MAPK12 2692/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET NPC1 287/4885MAPK13 2544/4885MAPK12 2692/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 NPC1 1793/4885MAPK13 2136/4885MAPK12 2444/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NPC1 3306/4885MAPK13 505/4885MAPK12 573/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NPC1 287/4885MAPK13 2544/4885MAPK12 2692/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS NPC1 2337/4885MAPK13 769/4885MAPK12 1153/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NPC1 3949/4885MAPK13 616/4885MAPK12 709/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET NPC1 287/4885MAPK13 2544/4885MAPK12 2692/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NPC1 3306/4885MAPK13 505/4885MAPK12 573/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NPC1 3576/4885MAPK13 2095/4885MAPK12 2511/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 NPC1 1793/4885MAPK13 2136/4885MAPK12 2444/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 NPC1 3050/4885MAPK13 2364/4885MAPK12 1898/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS NPC1 4317/4885MAPK13 1277/4885MAPK12 1696/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NPC1 287/4885MAPK13 2544/4885MAPK12 2692/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET NPC1 287/4885MAPK13 2544/4885MAPK12 2692/4885

“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.