SCHEMBL4861340

SCHEMBL4861340

COc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 1/20 0.37
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
PTGS1 P23219 2/20 0.36
GABRA2 P47869 2/20 0.36
PTGS2 P35354 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 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
SCHEMBL4869334 0.89 MAPT (0.40) CRHR1MEN1KMT2ACYP19A1PTGS1
SCHEMBL4804748 0.88 PTGS1 (0.39) RAB9APTGS1PTGS2
SCHEMBL4811964 0.87 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4810556 0.87 PTGS1 (0.37) CRHR1RAB9APTGS1PTGS2
SCHEMBL4810377 0.87 CYP2A6 (0.40) RAB9APTGS1PTGS2MAPT
SCHEMBL4869299 0.86 PTGS1 (0.38) RAB9APTGS1PTGS2
SCHEMBL4801884 0.86 PTGS1 (0.36) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4878073 0.85 PTGS1 (0.34) CRHR1RAB9APTGS1PTGS2
SCHEMBL4873661 0.84 PTGS1 (0.35) RAB9APTGS1MAPT
SCHEMBL4869383 0.84 ADRB2 (0.48) PTGS1PTGS2MAPT

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 5 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
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 CRHR1 2699/4885MEN1 913/4885KMT2A 1148/4885

“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.