SCHEMBL4877552

SCHEMBL4877552

c1ccc(-c2cn(-c3cccnc3)c(-c3ccc(-n4nnc5ccccc54)cc3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.42
GRM1 Q13255 4/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPP1CA P62136 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2A6 P11509 1/20 0.37
NT5E P21589 2/20 0.37
FLT3 P36888 1/20 0.36
DHODH Q02127 1/20 0.36
MDM2 Q00987 1/20 0.36
GSR P00390 1/20 0.35

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
SCHEMBL4879358 0.89 GRM1 (0.41) ALDH1A1RAB9AGRM1MAPTCYP1A2
SCHEMBL4812854 0.83 MAPT (0.58) ALDH1A1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL4875800 0.83 IRAK4 (0.43) GRM1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4874235 0.82 GSR (0.44) MAPTCYP1A2CYP2C9CYP2C19PPP1CA
SCHEMBL4808663 0.80 CYP2A6 (0.54) ALDH1A1RAB9AMAPTCYP1A2KMT2A
SCHEMBL4875437 0.79 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19PPP1CA
SCHEMBL4877197 0.78 MAPT (0.45) ALDH1A1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL4875563 0.78 PDE10A (0.45) ALDH1A1RAB9AMAPTCYP1A2CYP2C9
SCHEMBL4810066 0.78 CYP2A6 (0.45) RAB9AGRM1MAPTCYP1A2GRM5
SCHEMBL4877212 0.77 CYP2C19 (0.42) ALDH1A1RAB9AMAPTCYP1A2CYP2C9

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 ALDH1A1 204/4885RAB9A 870/4885GRM1 2105/4885

“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.