SCHEMBL12796750

SCHEMBL12796750

O=S1(=O)CCN(Cc2cnc(NC34CCC5CC(CC(C5)C3)C4)nc2C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TYRO3 Q06418 1/20 0.30
▸ ACVR1 Q04771 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
SCHEMBL541701 0.93 KMT2A (0.40) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL12796743 0.89 TYRO3 (0.36) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL12796746 0.88 TYRO3 (0.32) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL15397221 0.87 GSK3A (0.37) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL15397167 0.87 LRRK2 (0.36) KMT2ALMNATYRO3
SCHEMBL541700 0.84 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL15397224 0.82 TSHR (0.36) HDAC3HDAC1HDAC2HDAC6TYRO3
SCHEMBL12796741 0.81 LMNA (0.33) LMNATYRO3
SCHEMBL12848952 0.81 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL10145275 0.81 TYRO3 (0.38) HDAC3HDAC1HDAC2HDAC6LMNA

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 KMT2A 1194/4885HDAC3 2151/4885HDAC1 3139/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 KMT2A 1697/4885HDAC3 2660/4885HDAC1 3988/4885

“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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