SCHEMBL265918

SCHEMBL265918

Cc1c(C(=O)N2CCCCC2)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TSHR P16473 2/20 0.60
POLB P06746 1/20 0.59
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
USP2 O75604 2/20 0.51
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL263390 0.93 POLB (0.62) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL263891 0.91 POLB (0.56) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL265104 0.90 POLB (0.57) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL264309 0.89 CYP3A4 (0.57) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL264298 0.88 USP2 (0.53) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL265992 0.88 CYP3A4 (0.58) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL264256 0.88 CYP3A4 (0.58) ALDH1A1TSHRPOLBRXFP1USP2
SCHEMBL265165 0.88 CYP3A4 (0.58) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL263613 0.87 CYP3A4 (0.71) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL265454 0.87 GAA (0.57) ALDH1A1TSHRKMT2AMEN1RXFP1

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 10 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
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 ALDH1A1 3805/4885TSHR 1004/4885POLB 2341/4885

“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.