SCHEMBL12796727

SCHEMBL12796727

FC(F)(F)c1nc(NC23CC4CC(CC(C4)C2)C3)ncc1CN[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ GABBR2 O75899 10/20 0.38
▸ GABBR1 Q9UBS5 10/20 0.38
▸ BRS3 P32247 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TYRO3 Q06418 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ PDGFRB P09619 2/20 0.31
▸ PDGFRA P16234 2/20 0.31

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
SCHEMBL15397225 0.95 KDR (0.38) KDRAURKBGABBR2GABBR1BRS3
SCHEMBL12796711 0.82 TYRO3 (0.44) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL12796699 0.80 HDAC3 (0.35) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL15397217 0.79 TYRO3 (0.39) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL10145250 0.78 HDAC3 (0.44) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL542037 0.78 HDAC3 (0.41) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL15397219 0.77 VNN1 (0.32) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL10146173 0.77 HDAC6 (0.39) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL15397164 0.75 HDAC3 (0.35) GABBR2GABBR1HDAC3HDAC1HDAC2
SCHEMBL15397163 0.75 HDAC3 (0.38) GABBR2GABBR1HDAC3HDAC1HDAC2

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 2 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

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 KDR 631/4885AURKB 3221/4885GABBR2 254/4885

“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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