SCHEMBL4025069

SCHEMBL4025069

COC(=O)c1cccc(NCc2nnn(C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.47
TSHR P16473 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HIF1A Q16665 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HTR7 P34969 1/20 0.46
HPGD P15428 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44

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
SCHEMBL27621212 0.87 MAPT (0.47) MAPK1HSD17B10ALDH1A1TSHRNPSR1
SCHEMBL4028788 0.79 CYP2C9 (0.45) ALDH1A1TSHRNPSR1RAB9APOLB
SCHEMBL4025072 0.74 KDM4E (0.52) HSD17B10ALDH1A1LMNAMEN1KMT2A
SCHEMBL4029999 0.73 NPC1 (0.54) MAPK1HSD17B10ALDH1A1LMNATSHR
SCHEMBL25174147 0.73 RAB9A (0.59) EGFRMAPK1HSD17B10ALDH1A1TSHR
SCHEMBL30445248 0.73 RAB9A (0.59) EGFRMAPK1HSD17B10ALDH1A1TSHR
SCHEMBL30692682 0.73 EGFR (0.48) EGFRMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL23518403 0.72 RAB9A (0.59) EGFRMAPK1HSD17B10ALDH1A1HIF1A
SCHEMBL8672958 0.71 RAB9A (0.60) EGFRMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL134016 0.71 EGFR (0.57) EGFRMAPK1HSD17B10ALDH1A1HIF1A

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
EP-1499610-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HITEK CO LTD (KR) 2009-01-21 EP disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
EP-1499610-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-05-24 EP disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 US disclosed
EP-1499610-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2005-01-26 EP disclosed
WO-2003084464-A2 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING TETRAZOLE, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2003-10-16 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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 EGFR 1098/4885MAPK1 967/4885HSD17B10 3329/4885

“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.