SCHEMBL6816103

SCHEMBL6816103

N#CCSc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CTSS P25774 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL10494902 0.83 KDM4E (0.46) KDM4EGAAALDH1A1POLBATM
SCHEMBL27722503 0.78 KDM4E (0.53) KDM4EGAAALDH1A1POLBATM
SCHEMBL7964774 0.78 KIF11 (0.42) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL27870807 0.77 KDM4E (0.55) KDM4EGAAALDH1A1POLBATM
SCHEMBL2647186 0.77 KDM4E (0.51) KDM4EGAAALDH1A1POLBATM
SCHEMBL5248068 0.77 KDM4E (0.51) KDM4EGAAALDH1A1POLBATM
SCHEMBL11832467 0.77 KDM4E (0.51) KDM4EGAAALDH1A1POLBATM
SCHEMBL13092195 0.77 TSHR (0.44) KDM4EGAAALDH1A1POLBSLC6A2
SCHEMBL18680739 0.77 ALDH1A1 (0.54) KDM4EGAAALDH1A1POLBATM
SCHEMBL11449929 0.75 KIF11 (0.57) KDM4EGAAALDH1A1POLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6448265-B1 CORTICOTROPIN RELEASING FACTOR(CRF); ANTIDEPRESSANT; (5-AMINO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-METHYLSULFANYL-1H -PYRAZOL-4-YL)-(2,5-DIMETHYLPHENYL)METHANONE FOR EXAMPLE PFIZER, INC. 2002-09-10 US disclosed
US-6441018-B2 TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES. PFIZER INC. 2002-08-27 US disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-6005109-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY; EFFECTIVE IN THE TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES PFLIZER INC. (US) 1999-12-21 US disclosed
US-5935993-A TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1999-08-10 US disclosed
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US disclosed
US-5712303-A ANTIDEPRESSANTS PFIZER INC. (US) 1998-01-27 US disclosed
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed
EP-0674624-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013643-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1994-06-23 WO 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 KDM4E 2975/4885GAA 3254/4885ALDH1A1 3447/4885

“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.