SCHEMBL4869334

SCHEMBL4869334

COc1ccc(-n2cc(-c3nccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CYP19A1 P11511 2/20 0.38
PTGS1 P23219 2/20 0.36
PTGS2 P35354 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.33
PTK2 Q05397 2/20 0.33
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
CRHR1 P34998 3/20 0.32
JAK2 O60674 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP2A6 P11509 2/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL4810556 0.90 PTGS1 (0.37) PTGS1PTGS2CRHR1PDE10ACYP2A6
SCHEMBL4861340 0.89 CRHR1 (0.39) MAPTCYP19A1PTGS1PTGS2CRHR1
SCHEMBL4810377 0.88 CYP2A6 (0.40) MAPTPTGS1PTGS2PTK2PDE10A
SCHEMBL4877277 0.86 PTGS2 (0.39) MAPTCYP19A1PTGS1PTGS2IRAK4
SCHEMBL4878008 0.86 MAPT (0.34) MAPTPTGS1CRHR1PDE10ACYP2A6
SCHEMBL4869299 0.85 PTGS1 (0.38) PTGS1PTGS2PDE10ACYP2A6
SCHEMBL4804748 0.85 PTGS1 (0.39) PTGS1PTGS2PDE10ACYP2A6
SCHEMBL4873104 0.84 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL4801884 0.83 PTGS1 (0.36) PTGS1PTGS2PTK2MEN1KMT2A
SCHEMBL4878073 0.82 PTGS1 (0.34) PTGS1PTGS2CRHR1PDE10A

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 MAPT 964/4885CYP19A1 60/4885PTGS1 527/4885

“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.