SCHEMBL939723

SCHEMBL939723

CNCc1nc2c(C(=O)OC)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.59
PKN1 Q16512 2/20 0.56
PKN2 Q16513 2/20 0.56
PARP1 P09874 7/20 0.49
PKM P14618 1/20 0.48
CRBN Q96SW2 1/20 0.43
CHEK1 O14757 1/20 0.41
PTGES O14684 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NR4A2 P43354 1/20 0.41
PLA2G2A P14555 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7478397 0.86 PKN1 (0.59) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL12730392 0.85 PKN1 (0.57) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL6841804 0.85 PKN1 (0.57) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL15767242 0.85 PKN1 (0.57) RIPK1PKN1PKN2PTGES
SCHEMBL2845527 0.85 RIPK1 (0.58) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL15808810 0.84 RIPK1 (0.57) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL1917467 0.84 RIPK1 (0.62) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL9125563 0.82 RIPK1 (0.67) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL6245510 0.82 PKN1 (0.54) RIPK1PKN1PKN2PARP1CRBN
SCHEMBL1170810 0.80 PKN1 (0.77) RIPK1PKN1PKN2PARP1PLA2G2A

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-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 RIPK1 1658/4885PKN1 430/4885PKN2 543/4885

“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.