SCHEMBL12796747

SCHEMBL12796747

C[C@@H]1COC[C@H](C)N1Cc1cnc(NC23CCC4CC(CC(C4)C2)C3)nc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 1/20 0.32
▸ GABBR2 O75899 1/20 0.31
▸ GABBR1 Q9UBS5 1/20 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
SCHEMBL12848637 0.93 GABBR2 (0.35) TYRO3GABBR2GABBR1
SCHEMBL12796741 0.83 LMNA (0.33) TYRO3GABBR2GABBR1
SCHEMBL15397167 0.83 LRRK2 (0.36) TYRO3
SCHEMBL12796743 0.81 TYRO3 (0.36) TYRO3GABBR2GABBR1
SCHEMBL12796746 0.80 TYRO3 (0.32) TYRO3GABBR2GABBR1
SCHEMBL15397163 0.80 HDAC3 (0.38) TYRO3GABBR2GABBR1
SCHEMBL15397164 0.80 HDAC3 (0.35) TYRO3GABBR2GABBR1
SCHEMBL15397221 0.79 GSK3A (0.37) TYRO3GABBR2GABBR1
SCHEMBL12796750 0.78 KMT2A (0.36) TYRO3
SCHEMBL15397219 0.77 VNN1 (0.32) TYRO3GABBR2GABBR1

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-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-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 (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 TYRO3 1219/4885GABBR2 254/4885GABBR1 378/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 TYRO3 816/4885GABBR2 272/4885GABBR1 415/4885

“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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