SCHEMBL4879358

SCHEMBL4879358

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4nnc5cccnc54)cc3)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.41
FLT3 P36888 1/20 0.39
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GRM5 P41594 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.38
CYP2A6 P11509 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DHODH Q02127 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 1/20 0.34
KDM4E B2RXH2 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4877552 0.89 ALDH1A1 (0.44) GRM1FLT3MDM2ALDH1A1GRM5
SCHEMBL4875563 0.83 PDE10A (0.45) MDM2ALDH1A1AKT1CYP2A6RAB9A
SCHEMBL4808663 0.80 CYP2A6 (0.54) MDM2ALDH1A1GRM5L3MBTL1CYP2A6
SCHEMBL4859211 0.79 MAPT (0.42) GRM1GRM5AKT1CYP2A6RAB9A
SCHEMBL4875800 0.78 IRAK4 (0.43) GRM1CYP2A6PTGS1KDM4ECYP1A2
SCHEMBL4812854 0.78 MAPT (0.58) ALDH1A1RAB9AKDM4ECYP1A2MAPT
SCHEMBL4810066 0.78 CYP2A6 (0.45) GRM1MDM2GRM5L3MBTL1CYP2A6
SCHEMBL4874235 0.77 GSR (0.44) MDM2L3MBTL1AKT1CYP2A6KDM4E
SCHEMBL4877212 0.77 CYP2C19 (0.42) MDM2ALDH1A1GRM5AKT1CYP2A6
SCHEMBL4809561 0.76 CYP3A4 (0.52) ALDH1A1CYP2A6DHODHRAB9ACYP1A2

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 GRM1 2105/4885FLT3 2160/4885MDM2 3947/4885

“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.