SCHEMBL263131

SCHEMBL263131

Cc1c(C(=O)N2CCCC(F)(F)C2)sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL264431 0.97 MAPT (0.53) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL264214 0.96 MAPT (0.56) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL263462 0.93 MAPT (0.54) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL264488 0.91 MAPT (0.57) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL263619 0.90 MAPT (0.61) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL263914 0.90 MAPT (0.61) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL268610 0.86 MAPT (0.62) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL264007 0.85 CYP3A4 (0.57) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL264015 0.84 MAPT (0.60) MAPTUSP2ALDH1A1TSHRKMT2A
SCHEMBL264014 0.84 MAPT (0.60) MAPTUSP2ALDH1A1TSHRKMT2A

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 9 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
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO 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
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO 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 2985/4885USP2 4768/4885ALDH1A1 3805/4885

“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.