SCHEMBL4150847

SCHEMBL4150847

Cc1nc(-c2ccccc2OCc2ccccc2)n(CCc2ccccc2)c(=O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.52
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
GRM2 Q14416 1/20 0.46
NR1I2 O75469 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2D6 P10635 1/20 0.45
ATP4A P20648 1/20 0.45
MAPK1 P28482 1/20 0.45
ATP4B P51164 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL13851753 0.89 CASR (0.49) CASRTSHRGRM2NR1I2MEN1
SCHEMBL4139326 0.84 CASR (0.54) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL4143109 0.84 CASR (0.54) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL4145053 0.84 CASR (0.57) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL4143278 0.83 CASR (0.54) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL4143299 0.83 CASR (0.74) CASRTSHRNR1I2MEN1KMT2A
SCHEMBL28148354 0.83 CASR (0.55) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL13851615 0.81 CASR (0.50) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL4138510 0.80 CASR (0.67) CASRCYP1A2CYP3A4TSHRCYP2C9
SCHEMBL4142412 0.80 ALDH1A1 (0.48) CASRCYP1A2CYP3A4TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885CYP1A2 3432/4885CYP3A4 2257/4885

“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.