SCHEMBL4872987

SCHEMBL4872987

c1cncc(-c2c[nH]nc2-c2ccc(-n3ccc4cccnc43)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.39
MAPT P10636 1/20 0.36
CYP11B1 P15538 2/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
CYP17A1 P05093 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK1 P28482 2/20 0.34
AKT1 P31749 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33

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
SCHEMBL4812655 0.84 CDC7 (0.39) CYP11B1CDC7CDK2CYP17A1CYP19A1
SCHEMBL14223974 0.82 MAPKAPK2 (0.45) CYP11B1CDC7CDK2CYP17A1CYP1A2
SCHEMBL4879764 0.78 VHL (0.40) VHLMAPTCYP11B1CDC7CDK2
SCHEMBL4869244 0.77 VHL (0.38) VHLMAPTCYP11B1CDC7CDK2
SCHEMBL2295195 0.75 CDC7 (0.53) CDC7CDK2MKNK2KDM4ENPC1
SCHEMBL4873084 0.74 CYP19A1 (0.43) MAPTCYP19A1TSHRPIM1PIM2
SCHEMBL415753 0.73 CDC7 (0.51) MAPTCDC7CDK2MAPK1MKNK2
SCHEMBL30405693 0.73 CDC7 (0.51) MAPTCDC7CDK2MAPK1MKNK2
SCHEMBL30828406 0.70 CDC7 (0.54) CDC7CDK2TSHRKDM4EL3MBTL1
SCHEMBL1150333 0.70 CDC7 (0.54) CDC7CDK2TSHRKDM4EL3MBTL1

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 3 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
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 VHL 1295/4885MAPT 964/4885CYP11B1 26/4885

“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.