SCHEMBL660137

SCHEMBL660137

O=c1[nH]c2ccc3ncccc3c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.44
PARP1 P09874 5/20 0.44
CYP3A4 P08684 1/20 0.42
NCOA1 Q15788 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
DAO P14920 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
ERN1 O75460 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 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
SCHEMBL6784749 0.86 PARP1 (0.51) MAPTKDM4ESMN1; SMN2LMNAPARP1
SCHEMBL1046464 0.77 CDK4 (0.44) KDM4ESMN1; SMN2PARP1SIRT2CA12
SCHEMBL30846772 0.75 PARP1 (0.42) KDM4ELMNAPARP1SIRT2CA12
SCHEMBL1416592 0.72 MAPT (0.50) MAPTKDM4ESMN1; SMN2LMNAPARP1
SCHEMBL26675637 0.72 PARP1 (0.51) MAPTKDM4ESMN1; SMN2LMNAPARP1
SCHEMBL4464552 0.72 MAPT (0.50) MAPTKDM4ESMN1; SMN2LMNAPARP1
SCHEMBL17926392 0.71 PDE3B (0.44) KDM4EKMT2A
SCHEMBL13166527 0.71 MAPT (0.48) MAPTKDM4ESMN1; SMN2LMNAPARP1
SCHEMBL3344660 0.71 PARP1 (0.39) KDM4EPARP1DAOATAD2CDK4
SCHEMBL20772502 0.71 ACVR1 (0.59) ERN1CA12CA9AURKAACVR1

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
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
US-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S. 2004-02-12 US disclosed
US-6624186-B2 Modulators of SKCa, IKCa and BKCa channels. NEUROSEARCH A/S (DK) 2003-09-23 US disclosed
US-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-09 US disclosed
EP-1144387-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-17 EP disclosed
WO-2000034248-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 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 (3 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-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents KCNJ2, KCNJ1, KCNJ11 MAPT 2470/4885KDM4E 615/4885SMN1; SMN2 3160/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAPT 964/4885KDM4E 1893/4885SMN1; SMN2 4389/4885
US-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents KCNJ2, KCNJ1, KCNJ11 MAPT 2470/4885KDM4E 615/4885SMN1; SMN2 3160/4885

“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.