SCHEMBL254649

SCHEMBL254649

CCCCCN1[CH]CNCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.38
GNAI3 P08754 7/20 0.38
GNAI1 P63096 7/20 0.38
SOD3 P08294 2/20 0.36
ALOX5 P09917 2/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL3254587 0.98 GNAO1 (0.40) GNAO1GNAI3GNAI1SOD3ALOX5
SCHEMBL3253791 0.94 MEN1 (0.35) GNAO1GNAI3GNAI1SOD3MEN1
SCHEMBL3044885 0.86
SCHEMBL6961881 0.78 KEAP1 (0.32)
SCHEMBL447925 0.77
SCHEMBL11969012 0.74 OPRD1 (0.30)
SCHEMBL361683 0.74
SCHEMBL1476931 0.73 MEN1 (0.34) MEN1KMT2A
SCHEMBL1081166 0.69 ALDH1A1 (0.36) GNAO1GNAI3GNAI1ALOX5MEN1
SCHEMBL11599897 0.69 POLB (0.52) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280978-B1 PYRROLIDINE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-04-24 EP claimed
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP claimed
EP-1671969-A2 Thiazolyl inhibitors of tec family tyrosine kinases Bristol-Myers Squibb Company (US) 2006-06-21 EP claimed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US claimed
CN-1671699-A Photochromic bis-naphthopyran compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (US) 2005-09-21 CN claimed
CN-1617861-A Photochromic oxazine compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (US) 2005-05-18 CN claimed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA ITALIS S.P.A. (IT) 2005-01-06 US claimed
US-6784198-B1 2-(ARYLMETHYL-CARBONYLAMINO)-1,3-THIAZOLE DERIVATIVES; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA ITALIA S.P.A. (IT) 2004-08-31 US claimed
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-06-10 US claimed
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-04-08 US claimed
EP-1347971-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES Bristol-Myers Squibb Company (US) 2003-10-01 EP claimed
CN-1425009-A Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-06-18 CN claimed
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US claimed
WO-2002050071-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-27 WO claimed
EP-1204649-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-15 EP claimed
WO-2001014353-A1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA, S.P.A. (IT) 2001-03-01 WO claimed
US-6114365-A Arylmethyl-carbonylamino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-09-05 US claimed
US-5292741-A Macrocycles incorporating quinazolinones MERCK & CO., INC. (US) 1994-03-08 US claimed
EP-0096299-B1 HYDROXYIMINO AND ALKOXYIMINO DERIVATIVES OF 1,4-DIHYDROPYRIDINE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION THEREFROM Pierrel S.p.A. (IT) 1989-02-01 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 GNAO1 2737/4885GNAI3 2113/4885GNAI1 1425/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK GNAO1 2786/4885GNAI3 1052/4885GNAI1 834/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK GNAO1 2786/4885GNAI3 1052/4885GNAI1 834/4885
US-20050004120-A1 Arylmethyl-carbonylamino-thiazole derivatives and their use as antitumor agents CCAR2, BCL2, ROS1 GNAO1 2094/4885GNAI3 1343/4885GNAI1 1201/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK GNAO1 2786/4885GNAI3 1052/4885GNAI1 834/4885

“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.