SCHEMBL2292679

SCHEMBL2292679

Cn1cc(-c2nc3ccc(C(=O)O)cc3n2C)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.58
CHEK2 O96017 1/20 0.49
PTGER4 P35408 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.47
MC4R P32245 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
SCHEMBL3171683 0.79 VDR (0.52) CHEK2KDM4EHPGD
SCHEMBL3175974 0.75 CHEK2 (0.52) CHEK2PTGER4KDM4EHPGD
SCHEMBL6704506 0.74 MAP2K4 (0.54) CHEK2PTGER4KDM4EHPGD
SCHEMBL18247596 0.73 TDP1 (0.53) CHEK2KDM4EHPGD
SCHEMBL3175866 0.73 VDR (0.55) CHEK2
SCHEMBL121474 0.72 SCN9A (0.68) KDM4E
SCHEMBL17373146 0.71 POLB (0.50) KDM4EHPGD
SCHEMBL3162127 0.71 CHEK2 (0.57) CHEK2PTGER4
SCHEMBL13350181 0.71 CHEK2 (0.60) CHEK2PTGER4KDM4EHPGD
SCHEMBL29443096 0.71 CHEK2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257547-B1 NOVEL BENZIMIDAZOLE LINKED PYRROLOÝ2,1-QÝ1,4¨BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-08-05 EP disclosed
US-8835421-B2 Benzimidazole linked pyrrolo[2,1-c[1,4] benzodiazepine hybrids as potential antitumour agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-09-16 US disclosed
US-20110190268-A1 Novel Benzimidazole Linked Pyrrolo[2,1-c[1,4] Benzodiazepine Hybrids as Potential Antitumour Agents and Process for the Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-08-04 US disclosed
EP-2257547-A1 NOVEL BENZIMIDAZOLE LINKED PYRROLOÝ2,1-QÝ1,4¨BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2010-12-08 EP disclosed
WO-2009113085-A1 NOVEL BENZIMIDAZOLE LINKED PYRROLO[2,1-Q[1,4] BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-17 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-20110190268-A1 Novel Benzimidazole Linked Pyrrolo[2,1-c[1,4] Benzodiazepine Hybrids as Potential Antitumour Agents and Process for the Preparation Thereof GABRA1, GABRA4, PBRM1 PADI4 2563/4885CHEK2 1367/4885PTGER4 781/4885

“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.