SCHEMBL264936

SCHEMBL264936

Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(CC(=O)N3CCCC3)c(=O)c12

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL14023510 0.92 KMT2A (0.67) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL263914 0.91 MAPT (0.61) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL263619 0.91 MAPT (0.61) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL263680 0.91 CYP3A4 (0.59) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL263156 0.88 CYP3A4 (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL265656 0.87 CYP3A4 (0.59) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL264528 0.87 KMT2A (0.64) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL264526 0.86 CYP3A4 (0.65) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL264339 0.86 CYP3A4 (0.62) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL263880 0.85 CYP3A4 (0.61) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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
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-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 MEN1 3966/4885KMT2A 4469/4885CYP3A4 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.