SCHEMBL1190937

SCHEMBL1190937

O=C1COc2ncncc2N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MMP12 P39900 1/20 0.37
NR3C2 P08235 4/20 0.36
PARP1 P09874 1/20 0.34
BCL6 P41182 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
HPGD P15428 1/20 0.31
MGLL Q99685 1/20 0.31
NSD2 O96028 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL1191558 0.72 NR3C2 (0.43) CYP11B1CYP11B2MMP12NR3C2MGLL
SCHEMBL5800054 0.72 NR3C2 (0.42) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL1190598 0.72 MMP12 (0.53) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL31248624 0.72 TYRO3 (0.38) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL393577 0.72 NR3C2 (0.42) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL18368163 0.72 BLM (0.33) KMT2ASMN1; SMN2
SCHEMBL21384876 0.72 NR3C2 (0.40) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL3435529 0.71 CYP11B1 (0.38) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL279914 0.71 CYP11B1 (0.44) CYP11B1CYP11B2MMP12NR3C2PARP1
SCHEMBL29561576 0.71 CYP11B1 (0.44) CYP11B1CYP11B2MMP12NR3C2PARP1

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
WO-2019154329-A1 COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR 上海海和药物研究开发有限公司 2019-08-15 WO disclosed
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP disclosed
EP-0922045-B1 BICYCLIC PYRIMIDINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2003-04-16 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH CYP11B1 151/4885CYP11B2 78/4885MMP12 2291/4885

“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.