SCHEMBL263428

SCHEMBL263428

Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
MEN1 O00255 1/20 0.46

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
SCHEMBL264651 0.89 CYP3A4 (0.52) MAPTRXFP1CYP3A4CYP2D6CYP2C9
SCHEMBL263909 0.88 KMT2A (0.61) MAPTRXFP1CYP3A4CYP2D6CYP2C9
SCHEMBL263137 0.84 CYP3A4 (0.55) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL263890 0.82 MAPT (0.53) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL263914 0.82 MAPT (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL263619 0.82 MAPT (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL264891 0.82 MAPT (0.52) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL264178 0.81 TP53 (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL264002 0.81 CYP3A4 (0.57) MAPTRXFP1CYP3A4CYP2D6CYP2C9
SCHEMBL264233 0.81 SMN1; SMN2 (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US claimed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US claimed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 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 (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-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1G, RYR1 MAPT 2985/4885RXFP1 1295/4885CYP3A4 1593/4885

“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.