SCHEMBL3575508

SCHEMBL3575508

NC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)c4ccc5c(c4)OCO5)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 11/20 0.62
▸ KDM4E B2RXH2 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TGFBR1 P36897 6/20 0.48
▸ RIPK2 O43353 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ACVR1B P36896 1/20 0.48
▸ TGFBR2 P37173 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
SCHEMBL1382147 0.92 CHEK2 (0.73) CHEK2
SCHEMBL5178523 0.86 CHEK2 (0.52) CHEK2KDM4ECYP3A4CYP2D6MAPT
SCHEMBL1378452 0.85 CHEK2 (0.84) CHEK2KDM4ECYP3A4CYP2D6MAPT
SCHEMBL3571394 0.82 CHEK2 (0.65) CHEK2MEN1KMT2A
SCHEMBL3925642 0.82 CHEK2 (0.85) CHEK2MEN1KMT2A
SCHEMBL1379297 0.81 CHEK2 (0.85) CHEK2
SCHEMBL3567003 0.79 CHEK2 (0.84) CHEK2TGFBR1CSNK1A1CSNK1DCSNK1E
SCHEMBL3562320 0.77 CHEK2 (0.85) CHEK2
SCHEMBL21705329 0.76 HDAC6 (0.60) CHEK2
SCHEMBL31027922 0.76 HDAC6 (0.60) 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 14/4885KDM4E 3815/4885CYP3A4 925/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 CHEK2 13/4885KDM4E 3150/4885CYP3A4 321/4885

“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.

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