SCHEMBL4874235

SCHEMBL4874235

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4c(-c5ccccn5)nc5ccccc54)cc3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
MDM2 Q00987 1/20 0.41
AOC3 Q16853 2/20 0.41
AKT1 P31749 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPP1CA P62136 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSD P07339 2/20 0.39

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
SCHEMBL4812854 0.83 MAPT (0.58) KMT2AKDM4ECYP1A2MAPTCYP2C9
SCHEMBL4877212 0.82 CYP2C19 (0.42) GSRMDM2AKT1KMT2AMEN1
SCHEMBL4877552 0.82 ALDH1A1 (0.44) GSRMDM2KMT2ACYP1A2MAPT
SCHEMBL4808663 0.81 CYP2A6 (0.54) MDM2KMT2AMEN1KDM4ECYP1A2
SCHEMBL30172357 0.81 ESR2 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL4875437 0.80 MAPT (0.47) KMT2ACYP1A2MAPTCYP2C9CYP2C19
SCHEMBL13376084 0.79 HTT (0.56) GSRESR1ESR2GRIA1CACNG8
SCHEMBL4877197 0.79 MAPT (0.45) KMT2AKDM4ECYP1A2MAPTCYP2C9
SCHEMBL4875800 0.79 IRAK4 (0.43) KMT2AKDM4ECYP1A2MAPTCYP2C9
SCHEMBL4875563 0.79 PDE10A (0.45) MDM2AKT1KMT2AKDM4ECYP1A2

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 claimed
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

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 GSR 1424/4885ESR1 3887/4885ESR2 3332/4885

“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.