SCHEMBL3050698

SCHEMBL3050698

CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(NC(C)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3068783 0.89 MAPT (0.43) KMT2AMEN1THRBNPC1RAB9A
SCHEMBL3060330 0.87 RPS6KA5 (0.41) KMT2AMEN1THRBMAPTALDH1A1
SCHEMBL3055159 0.85 THRB (0.52) KMT2AMEN1THRBNPC1POLB
SCHEMBL14368290 0.84 NLRP3 (0.40) KMT2AMEN1THRBNPC1RAB9A
SCHEMBL3065544 0.84 TBXA2R (0.39) KMT2ALMNATP53MAPT
SCHEMBL3060709 0.83 KDM4E (0.45) KMT2AMEN1THRBMAPTALDH1A1
SCHEMBL3062446 0.82 CYP11B1 (0.36) KMT2AMEN1THRBNPC1RAB9A
SCHEMBL3065422 0.81 ALDH1A1 (0.41) LMNAALDH1A1GAA
SCHEMBL3065704 0.81 KMT2A (0.49) KMT2AMEN1THRBLMNAMAPT
SCHEMBL3070423 0.81 PDE2A (0.36) NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 KMT2A 1769/4885MEN1 3395/4885THRB 1628/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KMT2A 1769/4885MEN1 3395/4885THRB 1628/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 KMT2A 1769/4885MEN1 3395/4885THRB 1628/4885

“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.