SCHEMBL4872731

SCHEMBL4872731

O=C(Cc1ccc(Br)nc1)c1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 10/20 0.39
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MTNR1A P48039 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 1/20 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
SCHEMBL4807511 0.85 IDO1 (0.46) SLC22A12PARP1CYP11B1
SCHEMBL4878072 0.80 HDAC1 (0.40) PARP1MAPTKMT2A
SCHEMBL4878241 0.78 IDO1 (0.44) SLC22A12PARP1MAPTCDC7CDK2
SCHEMBL28059754 0.78 SLC22A12 (0.46) SLC22A12PARP1POLBMAPTCDC7
SCHEMBL28541218 0.73 SLC22A12 (0.49) SLC22A12PARP1POLBCDC7CDK2
SCHEMBL4856654 0.73 PARP1 (0.55) SLC22A12PARP1CDC7CDK2MTNR1A
SCHEMBL28547121 0.71 CDC7 (0.50) SLC22A12PARP1CDC7CDK2
SCHEMBL2772336 0.71 CDC7 (0.44) SLC22A12PARP1MAPTCDC7CDK2
SCHEMBL4809547 0.70 HTT (0.51) SLC22A12PARP1POLBMAPTALDH1A1
SCHEMBL4806005 0.70 SMN1; SMN2 (0.48) SLC22A12POLBMAPTALDH1A1MEN1

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
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 SLC22A12 2601/4885PARP1 2349/4885POLB 2755/4885

“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.