SCHEMBL3060244

SCHEMBL3060244

CCn1c(Cn2ccnc2-c2cccc(Cl)c2)nc2cc(CO)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
RPS6KA5 O75582 1/20 0.40
KMT2A Q03164 2/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
PPARG P37231 3/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL3059704 0.90 TP53 (0.42) BRD4KMT2ARAB9ANTRK1NTRK2
SCHEMBL3059869 0.87 CYP11B1 (0.41) BRD4RPS6KA5KMT2ARAB9ANTRK1
SCHEMBL3411110 0.87 BRD4 (0.39) BRD4KMT2ARAB9APPARGALDH1A1
SCHEMBL3060152 0.85 THRB (0.52) KMT2AALDH1A1POLBKDM4EHPGD
SCHEMBL3059306 0.85 ALDH1A1 (0.45) BRD4RPS6KA5KMT2ARAB9ANTRK1
SCHEMBL3057488 0.85 PDE4B (0.45) BRD4KMT2AALDH1A1KDM4ETP53
SCHEMBL3066097 0.84 KMT2A (0.50) KMT2AS1PR1ALDH1A1KDM4EHPGD
SCHEMBL3060367 0.84 RXFP1 (0.44) BRD4ALDH1A1TP53MAPT
SCHEMBL13089101 0.84 KCNH2 (0.38) BRD4KMT2ARAB9ANTRK1NTRK2
SCHEMBL3062901 0.84 TP53 (0.42) BRD4KMT2ARAB9APPARGALDH1A1

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
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
EP-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 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 (3 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 BRD4 138/4885RPS6KA5 2860/4885KMT2A 1769/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 BRD4 138/4885RPS6KA5 2860/4885KMT2A 1769/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 BRD4 138/4885RPS6KA5 2860/4885KMT2A 1769/4885

“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.