SCHEMBL10145847

SCHEMBL10145847

CN1CCC(Nc2ncc(C(=O)O)c(C(F)(F)F)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.48
▸ CDK2 P24941 10/20 0.45
▸ CCNA2 P20248 6/20 0.45
▸ CCNA1 P78396 6/20 0.45
▸ LCK P06239 4/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ CCNE1 P24864 4/20 0.43
▸ CCND3 P30281 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ PDE9A O76083 1/20 0.42
▸ MAPK7 Q13164 1/20 0.42
▸ TYRO3 Q06418 2/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MERTK Q12866 1/20 0.42

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
Hydrochloric Acid SCHEMBL541457 0.99 CDK1 (0.48) CDK1CDK2CCNA2CCNA1LCK
SCHEMBL542209 0.88 CDK1 (0.52) CDK1CDK2CCNA2CCNA1LCK
SCHEMBL12796227 0.84 LRRK2 (0.48) CDK1CDK2CCNA2CCNA1TYRO3
SCHEMBL3770097 0.83 CDK2 (0.46) CDK1CDK2CCNE1CDK4CCND1
SCHEMBL12796044 0.83 HDAC3 (0.49) HDAC1MAPK1
SCHEMBL28945865 0.83 CDK2 (0.45) CDK1CDK2CCNA2CCNA1LCK
SCHEMBL28945862 0.81 CDK1 (0.46) CDK1CDK2CCNA2CCNA1LCK
SCHEMBL15397162 0.79 CNR2 (0.46) HDAC1MAPK1
SCHEMBL1587368 0.79 CNR2 (0.45) HDAC1
SCHEMBL1587867 0.79 CNR2 (0.45) HDAC1

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 8 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-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 — — CN disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — 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 (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 CDK1 1036/4885CDK2 130/4885CCNA2 903/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CDK1 1125/4885CDK2 151/4885CCNA2 852/4885

“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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