SCHEMBL12796699

SCHEMBL12796699

FC(F)(F)c1nc(NC23CC4CC(CC(C4)C2)C3)ncc1CNC1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ GABBR2 O75899 1/20 0.34
▸ GABBR1 Q9UBS5 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CNR2 P34972 10/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ OPRL1 P41146 1/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ MAPK8 P45983 1/20 0.32

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
SCHEMBL15397219 0.94 VNN1 (0.32) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL12796711 0.89 TYRO3 (0.44) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL10145915 0.86 CNR2 (0.44) HDAC3HDAC1HDAC2HDAC6GSK3A
SCHEMBL15397217 0.84 TYRO3 (0.39) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL15397220 0.81 CNR2 (0.41) HDAC3HDAC1HDAC2HDAC6GSK3A
SCHEMBL12796727 0.80 KDR (0.39) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL541487 0.80 LRRK2 (0.39) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL15397213 0.80 CNR2 (0.34) CNR2CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL12796701 0.79 L3MBTL1 (0.39) CNR2CYP2D6
SCHEMBL10145250 0.79 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC6TYRO3

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-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
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 (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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HDAC3 2151/4885HDAC1 3139/4885HDAC2 1224/4885

“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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