SCHEMBL13675221

SCHEMBL13675221

CCc1cc(-c2ccnn2C)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
KCNH2 Q12809 2/20 0.40
S1PR1 P21453 1/20 0.40
BRD4 O60885 1/20 0.39
BRD3 Q15059 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.38

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
SCHEMBL14648843 0.82 KCNH2 (0.55) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL13672582 0.75 ALDH1A1 (0.43) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL3230291 0.75 ALDH1A1 (0.54) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12492615 0.74 PIK3CD (0.51) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL22183384 0.74 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4096493 0.74 BRD4 (0.49) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL17369090 0.72 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL16911318 0.72 S1PR1 (0.54) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL5024043 0.71 NISCH (0.49) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL18422297 0.70 ALDH1A1 (0.44) P2RX7CYP1A2CYP3A4CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB P2RX7 4006/4885CYP1A2 1716/4885CYP3A4 1414/4885

“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.