SCHEMBL4774563

SCHEMBL4774563

CN(CCc1ccccn1)c1cc[c]cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.43
ESR1 P03372 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL1392850 0.83 POLB (0.63) POLBCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4778674 0.81 PKM (0.50) ESR1
SCHEMBL8199502 0.77 PKM (0.37) POLBCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6802026 0.75 POLB (0.62) POLBCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4774494 0.74 NR1H2 (0.45) POLBTSHRKDM4ETDP1ESR1
SCHEMBL2474873 0.73 POLB (0.46) POLBKDM4EHRH3HSD17B10
SCHEMBL3932328 0.73 CYP1A2 (0.59) POLBCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4777939 0.73 CYP2D6 (0.43) POLBCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL229256 0.72 KDM4E (0.58) POLBCYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL31059180 0.72 KDM4E (0.68) POLBCYP2D6CYP2C9CYP2C19CYP1A2

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
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
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 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
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 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 POLB 758/4885CYP2D6 1636/4885CYP2C9 531/4885

“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.