SCHEMBL4022131

SCHEMBL4022131

Cc1cccc(NCc2nnn(C)n2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL4027817 0.83 L3MBTL1 (0.39) GAALMNAL3MBTL1CYP1A2CYP3A4
SCHEMBL4024665 0.76 NPC1 (0.48) MAPTGAATP53MAPK1LMNA
SCHEMBL4023277 0.76 ADRA2B (0.38) GAATP53HSD17B10L3MBTL1HTT
SCHEMBL4021489 0.75 PDE1A (0.40) KMT2AL3MBTL1KDM4EPDE1APDE1B
SCHEMBL4031003 0.74 MAPT (0.38) MAPTGAAHSD17B10LMNAALDH1A1
SCHEMBL4027203 0.74 DHFR (0.40) MAPTGAATP53MAPK1ALDH1A1
SCHEMBL11170519 0.68 MAPT (0.67) MAPTGAATP53MAPK1HSD17B10
SCHEMBL2232108 0.68 HSD17B10 (0.60) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11353733 0.68 LMNA (0.68) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11329246 0.68 MAPT (0.48) MAPTGAATP53MAPK1HSD17B10

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 MAPT 1509/4885GAA 3031/4885TP53 2593/4885

“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.