SCHEMBL12650355

SCHEMBL12650355

CCc1csc2ncc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
KAT2B Q92831 4/20 0.37
KDM4E B2RXH2 1/20 0.37
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL7923181 0.77 KDM4E (0.41) IKBKBKAT2BKDM4ENOS3NOS1
SCHEMBL23473992 0.74 KDM4E (0.39) IKBKBKAT2BKDM4ENOS3NOS1
SCHEMBL10285457 0.69 HPGD (0.40) IKBKBKAT2B
SCHEMBL14232405 0.68 IKBKB (0.53) IKBKBKAT2BKDM4ENOS3NOS1
SCHEMBL10266973 0.67 CA2 (0.60) CA2
SCHEMBL12240485 0.66 NOS3 (0.42) KDM4ENOS3NOS1NOS2SMN1; SMN2
SCHEMBL20321338 0.65 NOS3 (0.41) NOS3NOS1NOS2SMN1; SMN2CCR1
SCHEMBL12146866 0.64 CYP3A4 (0.48)
SCHEMBL11893012 0.64 CYP1A2 (0.47) KDM4E
SCHEMBL21016450 0.63 NOS3 (0.39) NOS3NOS1NOS2SMN1; SMN2CCR1

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-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 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-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET IKBKB 167/4885KAT2B 2495/4885KDM4E 3768/4885

“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.