SCHEMBL10132645

SCHEMBL10132645

O=C(NCc1ccccn1)c1ccc2c(c1)[nH]c(=O)c1ccsc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 2/20 0.57
HTT P42858 2/20 0.57
GLA P06280 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PARP1 P09874 3/20 0.57
CSNK2A1 P68400 2/20 0.57
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
POLB P06746 3/20 0.55
DHFR P00374 2/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 1/20 0.47
NAMPT P43490 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL10132622 0.91 PARP1 (0.54) KDM4EALDH1A1GAAHTTGLA
SCHEMBL10132633 0.85 PARP1 (0.65) KDM4EALDH1A1GAAHTTGLA
SCHEMBL10132650 0.83 PARP1 (0.59) KDM4EALDH1A1GAAHTTGLA
SCHEMBL13648695 0.82 PARP1 (0.58) KDM4EALDH1A1GAAHTTGLA
SCHEMBL10132651 0.82 TSHR (0.59) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL10132644 0.80 PARP1 (0.55) KDM4EHTTPARP1CSNK2A1CSNK2A2
SCHEMBL10132659 0.79 PARP1 (0.69) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL10132641 0.79 MAPT (0.59) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL10132647 0.79 PARP1 (0.66) KDM4EALDH1A1GAAHTTPARP1
SCHEMBL13655524 0.78 PARP1 (0.64) KDM4EALDH1A1GAAHTTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062043-B2 Fused tricyclic compounds as serine-threonine protein kinase and PARP modulators SENHWA BIOSCIENCES, INC. (TW) 2015-06-23 US disclosed
US-9062043-B2 Fused tricyclic compounds as serine-threonine protein kinase and PARP modulators SENHWA BIOSCIENCES, INC. (TW) 2015-06-23 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110263581-A1 FUSED TRICYCLIC COMPOUNDS AS SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110263581-A1 FUSED TRICYCLIC COMPOUNDS AS SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-7956064-B2 Fused tricyclic compounds as serine-threonine protein kinase and PARP modulators CYLENE PHARMACEUTICALS, INC. (US) 2011-06-07 US disclosed
US-7956064-B2 Fused tricyclic compounds as serine-threonine protein kinase and PARP modulators CYLENE PHARMACEUTICALS, INC. (US) 2011-06-07 US disclosed
US-20090264423-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-10-22 US disclosed
US-20090264423-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-10-22 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
US-20090105233-A1 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-04-23 US disclosed
US-20090105233-A1 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-04-23 US disclosed
WO-2008028168-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2008-03-06 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 (5 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-20110263581-A1 FUSED TRICYCLIC COMPOUNDS AS SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS PARP1, PARP11, TNKS KDM4E 1489/4885ALDH1A1 3612/4885GAA 1665/4885
US-20090264423-A2 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS PACSIN2, TNKS, PARP1 KDM4E 1151/4885ALDH1A1 3529/4885GAA 1705/4885
US-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 KDM4E 736/4885ALDH1A1 3801/4885GAA 1742/4885
US-20090105233-A1 SERINE-THREONINE PROTEIN KINASE AND PARP MODULATORS PACSIN2, TNKS, PARP1 KDM4E 1151/4885ALDH1A1 3529/4885GAA 1705/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 KDM4E 736/4885ALDH1A1 3801/4885GAA 1742/4885

“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.