SCHEMBL3571817

SCHEMBL3571817

NC(=O)c1ccc2[nH]c(-c3ccc(Cc4cccs4)cc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.58
PKN1 Q16512 1/20 0.49
PKN2 Q16513 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5177918 0.85 SMN1; SMN2 (0.46) CHEK2MEN1NPC1ALDH1A1MAPT
SCHEMBL14190738 0.84 CHEK2 (0.69) CHEK2
SCHEMBL3561228 0.82 CHEK2 (0.61) CHEK2MEN1KMT2A
SCHEMBL1381233 0.81 CHEK2 (0.86) CHEK2
SCHEMBL3568350 0.81 CHEK2 (0.83) CHEK2PKN1PKN2ALDH1A1MAPT
SCHEMBL1382192 0.81 CHEK2 (0.83) CHEK2MEN1KMT2A
SCHEMBL1381218 0.81 CHEK2 (0.83) CHEK2
SCHEMBL1378972 0.81 CHEK2 (0.84) CHEK2
SCHEMBL1379233 0.80 CHEK2 (0.60) CHEK2
SCHEMBL3577331 0.80 CHEK2 (0.84) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP claimed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 US claimed
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2004-10-28 US claimed
US-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 US disclosed
US-7132440-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-07 US disclosed
EP-1613313-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-11 EP disclosed
WO-2004093873-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-`4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-04 WO disclosed
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2004-10-28 US 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 (2 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885PKN1 638/4885PKN2 1037/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 CHEK2 13/4885PKN1 1054/4885PKN2 1439/4885

“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.