SCHEMBL4811964

SCHEMBL4811964

COc1ccc(-n2cc(-c3cccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 5/20 0.38
USP2 O75604 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL4861340 0.87 CRHR1 (0.39) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL28545830 0.79 BRAF (0.47) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL4810822 0.78 PDE10A (0.69) ALDH1A1MEN1KMT2ACYP2C19MAPT
SCHEMBL4804748 0.77 PTGS1 (0.39) RAB9ACYP1A2PDE10APTGS1PTGS2
SCHEMBL4869334 0.77 MAPT (0.40) MEN1KMT2AMAPTPDE10APTGS1
SCHEMBL4869275 0.76 CCNK (0.44) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4810556 0.74 PTGS1 (0.37) RAB9APDE10AL3MBTL1PTGS1PTGS2
SCHEMBL4877277 0.74 PTGS2 (0.39) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4805276 0.74 PDE10A (0.45) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL4810377 0.74 CYP2A6 (0.40) RAB9AMAPTCYP1A2CYP3A4PDE10A

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 6 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
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO 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 ALDH1A1 204/4885MEN1 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.