SCHEMBL3916628

SCHEMBL3916628

NC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 17/20 0.80
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58

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
SCHEMBL8613521 0.97 CHEK2 (0.79) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL1380709 0.92 CHEK2 (0.81) CHEK2
SCHEMBL14190738 0.89 CHEK2 (0.69) CHEK2
SCHEMBL14218019 0.89 CHEK2 (0.67) CHEK2PKN1PKN2
SCHEMBL14218018 0.89 CHEK2 (0.82) CHEK2KMT2A
SCHEMBL19994450 0.88 CHEK2 (0.75) CHEK2KMT2A
SCHEMBL3928090 0.88 CHEK2 (0.81) CHEK2KMT2A
SCHEMBL3922046 0.88 CHEK2 (0.81) CHEK2PKN1PKN2
SCHEMBL1383372 0.87 CHEK2 (0.83) CHEK2
SCHEMBL20001633 0.87 CHEK2 (0.69) CHEK2KDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US disclosed
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP disclosed
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP disclosed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP disclosed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 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 (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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885KDM4E 3815/4885ALDH1A1 1427/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 CHEK2 12/4885KDM4E 2840/4885ALDH1A1 1805/4885

“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.