SCHEMBL1628591

SCHEMBL1628591

N#CC(Br)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
ALDH1A1 P00352 2/20 0.46
TSHR P16473 4/20 0.41
HIF1A Q16665 2/20 0.41
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
ACAT1 P24752 1/20 0.41
MAPK1 P28482 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
SCHEMBL9664891 0.77 ALDH1A1 (0.62) TRPA1ALDH1A1TSHRHIF1ALMNA
SCHEMBL30029908 0.77 ALDH1A1 (0.49) TRPA1ALDH1A1TSHRHIF1ALMNA
SCHEMBL8660409 0.77 ALDH1A1 (0.49) TRPA1ALDH1A1TSHRHIF1ALMNA
SCHEMBL1629226 0.76 ALDH1A1 (0.47) TRPA1ALDH1A1TSHRHIF1ALMNA
SCHEMBL27782003 0.74 TRPA1 (0.50) TRPA1ALDH1A1TSHRCYP2C19MAPT
SCHEMBL28256581 0.74 TRPA1 (0.50) TRPA1ALDH1A1TSHRHIF1ALMNA
SCHEMBL1125095 0.74 TRPA1 (0.50) TRPA1ALDH1A1TSHRLMNACYP2C19
SCHEMBL9501889 0.74 TRPA1 (0.50) TRPA1ALDH1A1TSHRLMNAMAPT
SCHEMBL2163244 0.74 ALDH1A1 (0.46) ALDH1A1TSHRHIF1ALMNACYP2C19
SCHEMBL2245671 0.74 ALDH1A1 (0.46) TRPA1ALDH1A1TSHRHIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130227-A1 PRODRUGS OF ANTI-PLATELET AGENTS CELLIX BIO PRIVATE LTD (IN) 2016-05-12 US disclosed
US-20160130227-A1 PRODRUGS OF ANTI-PLATELET AGENTS CELLIX BIO PRIVATE LTD (IN) 2016-05-12 US disclosed
US-9175008-B1 Prodrugs of anti-platelet agents CELLIX BIO PRIVATE LIMITED (IN) 2015-11-03 US disclosed
US-7932391-B2 Using halogen phenyl acetonitrile as starting material; tetrahydrothienopyridine (acetate or acetonitrile) as chemical intermediates; kinetic resolution; anticoagulant Zhejiang Hauhai Pharmaceutical Co., Ltd. (CN) 2011-04-26 US disclosed
US-20080249311-A1 Using halogen phenyl acetonitrile as starting material; tetrahydrothienopyridine (acetate or acetonitrile) as chemical intermediates; kinetic resolution; anticoagulant ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2008-10-09 US disclosed
EP-1942110-A1 PREPARATION OF CLOPIDOGREL AND ITS ANALOGUES METHYL TETRAHYDROTHIENOPYRIDINE ACETATE COMPOUNDS Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) 2008-07-09 EP disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
EP-0823908-B1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2006-11-02 EP disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
US-5733914-A Pyrido 2, 3-d!pyrimidines for inhibiting protein tyrosine kinase mediated cellular proliferation WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
US-5733913-A TREATING ATHEROSCLEROSIS, POSTSURGICAL RESTENOSIS WARNER-LAMBERT COMPANY 1998-03-31 US disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
CN-1169726-A 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 1998-01-07 CN disclosed
EP-0790997-A2 6-ARYL PYRIDO( 2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1997-08-27 EP disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO disclosed
WO-1996015128-A2 6-ARYL PYRIDO[2,3-d]PYRIMIDINES AND NAPHTHYRIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-05-23 WO disclosed
EP-0018151-B1 6-SUBSTITUTED-ARYLPYRIDO(2,3-D)PYRIMIDIN-7-AMINES, DERIVATIVES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING ANY OF THE FOREGOING, AND PROCESSES FOR PRODUCING ANY OF THE FOREGOING WARNER-LAMBERT COMPANY (US) 1984-01-25 EP disclosed
US-4271164-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1981-06-02 US disclosed
EP-0018151-A1 6-Substituted-arylpyrido(2,3-d)pyrimidin-7-amines, derivatives and salts thereof, pharmaceutical compositions containing any of the foregoing, and processes for producing any of the foregoing WARNER-LAMBERT COMPANY (US) 1980-10-29 EP 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 (2 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-20080249311-A1 Using halogen phenyl acetonitrile as starting material; tetrahydrothienopyridine (acetate or acetonitrile) as chemical intermediates; kinetic resolution; anticoagulant TFPI, F2, CYP2C19 TRPA1 124/4885ALDH1A1 579/4885TSHR 259/4885
US-20160130227-A1 PRODRUGS OF ANTI-PLATELET AGENTS F12, F2, PLAT TRPA1 1417/4885ALDH1A1 811/4885TSHR 3431/4885

“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.