SCHEMBL12795998

SCHEMBL12795998

COC(=O)c1cnc(NC2CCOCC2)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 2/20 0.48
▸ CNR2 P34972 11/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ MAPK3 P27361 1/20 0.45

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
SCHEMBL1587831 0.93 MAPT (0.49) MAPTGAACNR2CYP2D6CYP2C19
SCHEMBL1587833 0.93 MAPT (0.49) MAPTGAACNR2CYP2D6CYP2C19
SCHEMBL1587842 0.93 MAPT (0.49) MAPTGAACNR2CYP2D6CYP2C19
SCHEMBL12796044 0.87 HDAC3 (0.49) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL542209 0.85 CDK1 (0.52) MAPTGAAALDH1A1KMT2A
SCHEMBL15397162 0.83 CNR2 (0.46) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL10145297 0.82 CNR2 (0.49) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587367 0.80 CNR2 (0.45) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587368 0.80 CNR2 (0.45) CNR2CYP2D6CYP2C19CYP1A2HDAC3
SCHEMBL1587867 0.80 CNR2 (0.45) CNR2CYP2D6CYP2C19CYP1A2HDAC3

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-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 — — 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAPT 2938/4885GAA 4438/4885CNR2 1/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 MAPT 3111/4885GAA 4452/4885CNR2 1/4885

“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.

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