SCHEMBL4820439

SCHEMBL4820439

Cc1ccc(C(C)Nc2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn23)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
CREBBP Q92793 1/20 0.35
APP P05067 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL4814513 0.91 KCNN3 (0.39) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL975954 0.85 MAPK1 (0.38) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL3608660 0.83 MAPK1 (0.37) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL79687 0.83 MAPK1 (0.37) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL29783525 0.83 MAPK1 (0.37) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL14338819 0.82 MAPK1 (0.36) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL7831913 0.81 CRHR1 (0.36) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL22637997 0.81 MAPK1 (0.35) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL976390 0.81 MAPK1 (0.35) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL80486 0.81 MAPK1 (0.35) ALDH1A1MAPK1KMT2AMEN1GAA

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 11 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
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US claimed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 ALDH1A1 2231/4885MAPK1 916/4885KMT2A 2012/4885

“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.