SCHEMBL305618

SCHEMBL305618

CC1(C)CC(=O)c2sc(N)nc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 1.00
ATAD2 Q6PL18 1/20 0.64
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
PIK3CD O00329 3/20 0.55
PIK3CA P42336 3/20 0.55
PIK3CB P42338 3/20 0.55
PIK3CG P48736 3/20 0.55
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46

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
Bromide SCHEMBL3828169 0.98 ALDH1A1 (0.96) ALDH1A1ATAD2NPC1RAB9APIK3CD
SCHEMBL12680949 0.81 ALDH1A1 (0.69) ALDH1A1ATAD2NPC1RAB9APIK3CD
SCHEMBL304836 0.81 ALDH1A1 (0.69) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL4759290 0.80 ALDH1A1 (0.67) ALDH1A1ATAD2NPC1RAB9APIK3CD
SCHEMBL7173471 0.78 ALDH1A1 (0.64) ALDH1A1ATAD2NPC1RAB9APIK3CD
SCHEMBL303321 0.78 ATAD2 (1.00) ALDH1A1ATAD2NPC1RAB9APIK3CD
SCHEMBL16880253 0.77 ALDH1A1 (0.63) ALDH1A1ATAD2NPC1RAB9APIK3CD
SCHEMBL12680625 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL12681554 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9APIK3CDPIK3CA
SCHEMBL12415758 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9APIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
EP-2421872-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
EP-1283834-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090094-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed
US-4624698-A Herbicidal tetrahydrobenzothiazolyl-1,3,5-triazinone derivatives and compositions thereof KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-25 US disclosed
US-4481027-A POSTEMERGENCE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-11-06 US disclosed
US-4419289-A YELLOW COLOR FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ESTERS EASTMAN KODAK COMPANY (US) 1983-12-06 US disclosed
US-4396547-A INDOLE, THIADIAZOLE AND MONOAZO DYES EASTMAN KODAK COMPANY (US) 1983-08-02 US disclosed
US-4380640-A PLANT GROWTH REGULATORS; 7-OXO-BENZOTHIAZOL-2-YL-N-ALKYL UREA DERIVATIVES CIBA-GEIGY CORPORATION (US) 1983-04-19 US disclosed
US-4354970-A YELLOW TEXTILE DYE EASTMAN KODAK COMPANY (US) 1982-10-19 US disclosed
EP-0032879-A1 Benzothiazolyl-urea derivatives, their preparation, formulations containing them and their use as herbicides CIBA-GEIGY AG (CH) 1981-07-29 EP disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (1 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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 ALDH1A1 51/4885ATAD2 4261/4885NPC1 414/4885

“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.