SCHEMBL12796717

SCHEMBL12796717

OC1CCCN(Cc2cnc(NC34CC5CC(CC(C5)C3)C4)nc2C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GSK3A P49840 3/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CDK6 Q00534 1/20 0.34

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
SCHEMBL15397224 0.94 TSHR (0.36) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL12796719 0.88 GSK3A (0.39) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL10145275 0.87 TYRO3 (0.38) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL15397221 0.83 GSK3A (0.37) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL12796743 0.82 TYRO3 (0.36) HDAC3HDAC1HDAC2HDAC6GSK3A
SCHEMBL541700 0.81 HDAC3 (0.37) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL12848952 0.81 HDAC3 (0.36) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL541487 0.81 LRRK2 (0.39) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL12848951 0.79 GAA (0.36) TSHRHDAC3HDAC1HDAC2HDAC6
SCHEMBL541701 0.79 KMT2A (0.40) TSHRHDAC3HDAC1HDAC2HDAC6

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 TSHR 1392/4885HDAC3 2151/4885HDAC1 3139/4885

“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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