SCHEMBL4801964

SCHEMBL4801964

Cc1cc(C#N)ccc1-n1ccc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.41
CDK2 P24941 5/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
MAP3K14 Q99558 1/20 0.39
CRHR1 P34998 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 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
SCHEMBL4802257 0.77 CYP19A1 (0.52) CDC7CDK2MAP3K14
SCHEMBL28441844 0.75 SLC22A12 (0.53) CDC7CDK2RAPGEF4SLC22A12
SCHEMBL4807470 0.74 CYP11B2 (0.41) CDC7CDK2RAPGEF4SLC22A12MAP3K14
SCHEMBL4808225 0.73 CDK2 (0.46) CDC7CDK2SLC22A12
SCHEMBL4809049 0.73 ALOX15 (0.52) RAPGEF4SLC22A12
SCHEMBL19644484 0.71 RAPGEF4 (0.45) CDC7CDK2RAPGEF4SLC22A12L3MBTL1
SCHEMBL30424543 0.70 RAPGEF4 (0.56) CDC7CDK2RAPGEF4SLC22A12CRHR1
SCHEMBL10094619 0.69 CDC7 (0.50) CDC7CDK2RAPGEF4SLC22A12L3MBTL1
SCHEMBL1836254 0.69 CRHR1 (0.36) CRHR1MAPKAPK2
SCHEMBL2184636 0.69 GRM5 (0.54) CDC7CDK2

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 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 CDC7 1474/4885CDK2 2090/4885RAPGEF4 1347/4885

“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.