SCHEMBL4769908

SCHEMBL4769908

[c]1ccc(NCCc2ccncc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MKNK1 Q9BUB5 8/20 0.42
MKNK2 Q9HBH9 8/20 0.42
KCNH3 Q9ULD8 1/20 0.40
PGK1 P00558 1/20 0.38
PTGDR Q13258 1/20 0.38
F2 P00734 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
FYN P06241 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL4774579 0.85 HTR7 (0.46) SMN1; SMN2HTT
SCHEMBL4777761 0.83 CXCR4 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19KCNH3
SCHEMBL4775118 0.82 L3MBTL1 (0.47) CYP1A2CYP2D6MKNK1MKNK2PTGDR
SCHEMBL4776298 0.75 CYP1A2 (0.69) CYP1A2CYP2C19MKNK1PGK1
SCHEMBL11833058 0.75 CYP1A2 (0.64) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL182723 0.74 KDM4E (0.42) CYP1A2CYP2D6CYP2C19MKNK1MKNK2
SCHEMBL991740 0.74 HCAR3 (0.44) SMN1; SMN2CYP2C19HTTFYN
SCHEMBL4777990 0.74 CHEK1 (0.37) SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4775077 0.73 CHRM2 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4776276 0.71 HCAR3 (0.46) SMN1; SMN2HTTMKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A SMN1; SMN2 4053/4885CYP1A2 748/4885CYP3A4 1185/4885

“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.