SCHEMBL12796741

SCHEMBL12796741

C[C@@H]1CN(Cc2cnc(NC34CCC5CC(CC(C5)C3)C4)nc2C(F)(F)F)C[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TYRO3 Q06418 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ GABBR2 O75899 1/20 0.31
▸ GABBR1 Q9UBS5 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ CYP2A13 Q16696 1/20 0.30
▸ VNN1 O95497 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL12848951 0.93 GAA (0.36) LMNAGAATYRO3TDP1KDM4E
SCHEMBL15397167 0.85 LRRK2 (0.36) LMNATYRO3TDP1LRRK2
SCHEMBL12796743 0.85 TYRO3 (0.36) TYRO3GABBR2GABBR1
SCHEMBL12796746 0.84 TYRO3 (0.32) TYRO3GABBR2GABBR1
SCHEMBL12796747 0.83 TYRO3 (0.32) TYRO3GABBR2GABBR1
SCHEMBL15397221 0.83 GSK3A (0.37) TYRO3TDP1KDM4EHTTGABBR2
SCHEMBL15397224 0.82 TSHR (0.36) GAATYRO3KDM4EHTTVNN1
SCHEMBL12796750 0.81 KMT2A (0.36) LMNATYRO3
SCHEMBL15397163 0.80 HDAC3 (0.38) LMNATYRO3GABBR2GABBR1
SCHEMBL15397164 0.80 HDAC3 (0.35) LMNATYRO3GABBR2GABBR1

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 LMNA 4300/4885GAA 4438/4885TYRO3 1219/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LMNA 4294/4885GAA 4452/4885TYRO3 816/4885

“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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