SCHEMBL4819307

SCHEMBL4819307

Cc1ccc(-c2c(Cl)nc3ncnn3c2NC2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CREBBP Q92793 1/20 0.42
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
PDE2A O00408 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4822465 0.89 PDE2A (0.40) ALDH1A1ADORA1ADORA3ADORA2AKDM4E
SCHEMBL8807136 0.88 NRP1 (0.41) ALDH1A1ADORA1ADORA3ADORA2AKDM4E
SCHEMBL8805553 0.88 ALDH1A1 (0.47) ALOX5ALDH1A1CREBBPADORA1ADORA3
SCHEMBL8640237 0.83 ALDH1A1 (0.43) ALOX5ALDH1A1ADORA1ADORA3ADORA2A
SCHEMBL4810493 0.81 MEN1 (0.44) ALOX5ALDH1A1CREBBPKDM4EHPGD
SCHEMBL7487750 0.81 MAPK1 (0.37) ALDH1A1ADORA1ADORA3ADORA2AKDM4E
SCHEMBL7958939 0.80 CDK2 (0.38) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL7490009 0.80 KMT2A (0.38) ALOX5ALDH1A1KDM4EHPGDTSHR
SCHEMBL7496989 0.80 KMT2A (0.38) ALOX5ALDH1A1KDM4EHPGDTSHR
SCHEMBL4818794 0.80 ADORA3 (0.43) ALDH1A1ADORA1ADORA3ADORA2AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
JP-5271234-A None JP disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO disclosed
EP-0550113-B1 Triazolopyrimidine derivatives with fungicidal activity SHELL INT RESEARCH (NL) 1997-10-15 EP disclosed
EP-0782997-A2 Triazolopyrimidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-07-09 EP disclosed
US-5593996-A FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed
JP-H05271234-A TRIAZOLOPYRIMIDINE DERIVATIVE SHELL INTERNATL RES MAATSCHAPPIJ BV 1993-10-19 JP disclosed
EP-0550113-A2 Triazolopyrimidine derivatives with fungicidal activity SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-07-07 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 (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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 ALOX5 4825/4885ALDH1A1 2231/4885CREBBP 850/4885

“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.