SCHEMBL1723707

SCHEMBL1723707

Cc1ccc2nc(Cl)nc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
APP P05067 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
CYP1A2 P05177 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
HTT P42858 3/20 0.39
CYP2C19 P33261 2/20 0.39
NLRP3 Q96P20 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL1725601 0.81 THRB (0.44) KDM4EALDH1A1LMNAADORA2AADORA1
SCHEMBL5475913 0.77 RORB (0.44) KDM4EALDH1A1LMNAMAPTADORA2A
SCHEMBL10827270 0.72 KDM1A (0.48) KDM4EALDH1A1MAPTADORA2AAPP
SCHEMBL1722035 0.71 NFKBIA (0.43) KDM4EALDH1A1MAPTADORA2AADORA1
SCHEMBL5469295 0.71 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPTADORA2A
SCHEMBL4453826 0.71 CTSS (0.46) KDM4EALDH1A1LMNAMAPTADORA2A
SCHEMBL2553757 0.70 MGLL (0.45) KDM4EALDH1A1LMNAADORA2AADORA1
SCHEMBL3785840 0.70 PDE4B (0.59) KDM4EALDH1A1MAPTADORA2AADORA1
SCHEMBL1724006 0.70 CCNA2 (0.43) KDM4EALDH1A1LMNAMAPTADORA2A
SCHEMBL7253697 0.69 ADORA2A (0.46) KDM4EALDH1A1ADORA2AADORA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 US disclosed
US-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. 2023-08-17 US disclosed
WO-2021252680-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
EP-2403833-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 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-20230257359-A1 4-ARYLQUINAZOLINE DERIVATIVES AS METHIONINE ADENOSYLTRANSFERASE 2A INHIBITORS MAT2A, MAT2B, MAT1A KDM4E 811/4885ALDH1A1 667/4885LMNA 3287/4885

“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.