SCHEMBL4807541

SCHEMBL4807541

Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(-n3ccc4ncccc43)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPP1CA P62136 1/20 0.43
RPS6KA5 O75582 10/20 0.41
HTT P42858 2/20 0.40
RPS6KA4 O75676 2/20 0.37
PTGS1 P23219 1/20 0.37
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTK2B Q14289 1/20 0.35
PTGS2 P35354 2/20 0.35
IRAK4 Q9NWZ3 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
SCHEMBL4878495 0.88 PTGS1 (0.36) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4878767 0.85 MAPT (0.54) MAPTPTGS2
SCHEMBL4806012 0.85 TGFBR1 (0.44) MAPTPTGS1CDC7CDK2PTGS2
SCHEMBL4808161 0.84 PTGS1 (0.39) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4808476 0.84 PTGS1 (0.38) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4809497 0.83 KMT2A (0.43) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4875437 0.81 MAPT (0.47) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4806864 0.81 PDE10A (0.43) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4812854 0.81 MAPT (0.58) MAPTKMT2ANPSR1CYP1A2CYP2C9
SCHEMBL4876566 0.81 DGAT1 (0.36) MAPTKMT2ANPSR1CYP1A2CYP2C9

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
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
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 MAPT 964/4885KMT2A 1148/4885NPSR1 1386/4885

“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.