SCHEMBL2452871

SCHEMBL2452871

Nc1ncnc(OCc2cccc(C(F)(F)F)c2)c1C=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 2/20 0.48
NR4A2 P43354 2/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ACACB O00763 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.42
AR P10275 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2450854 0.84 MAP3K7 (0.51) MAOBIDO1NR4A2MAOA
SCHEMBL12303611 0.83 RET (0.49) MAOBIDO1
SCHEMBL2450976 0.83 RET (0.49) MAOBIDO1
SCHEMBL2450973 0.83 RET (0.49) MAOBIDO1
SCHEMBL2453807 0.81 CDC7 (0.52) MAOBIDO1NR4A2MAOA
SCHEMBL2451281 0.81 MAOB (0.50) MAOBIDO1FFAR1FFAR4ALDH1A1
SCHEMBL5319746 0.81 EGFR (0.53) MAOBMAPTL3MBTL1ALDH1A1GAA
SCHEMBL2454013 0.80 MAOB (0.48) MAOBMAPTIDO1HTT
SCHEMBL2454298 0.78 MAOA (0.39) MAOBMAOA
SCHEMBL2451246 0.77 RAB9A (0.52) MAPTL3MBTL1

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-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK MAOB 2116/4885MAPT 2869/4885POLB 720/4885

“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.