SCHEMBL542209

SCHEMBL542209

COC(=O)c1cnc(NC2CCN(C)CC2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.52
▸ MAPT P10636 2/20 0.50
▸ GAA P10253 2/20 0.47
▸ LCK P06239 2/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CDK2 P24941 6/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ CCNA1 P78396 3/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ MAPK14 Q16539 1/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL10145847 0.88 CDK1 (0.48) CDK1LCKCHEK1CHEK2CDK2
Hydrochloric Acid SCHEMBL541457 0.87 CDK1 (0.48) CDK1LCKCHEK1CHEK2CDK2
SCHEMBL12795998 0.85 MAPT (0.51) MAPTGAAALDH1A1KMT2A
SCHEMBL12796227 0.82 LRRK2 (0.48) CDK1CDK2CCNA2CCNA1
SCHEMBL28945862 0.81 CDK1 (0.46) CDK1LCKCDK2CCNA2CCNA1
SCHEMBL1587831 0.81 MAPT (0.49) MAPTGAAALDH1A1KMT2AJUN
SCHEMBL1587842 0.81 MAPT (0.49) MAPTGAAALDH1A1KMT2AJUN
SCHEMBL1587833 0.81 MAPT (0.49) MAPTGAAALDH1A1KMT2AJUN
SCHEMBL28945865 0.79 CDK2 (0.45) CDK1LCKCDK2CCNA2CCNA1
SCHEMBL541572 0.76 MAPT (0.48) MAPTGAAALDH1A1KMT2AKDM4E

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 10 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-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
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US 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
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 1036/4885MAPT 2938/4885GAA 4438/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CDK1 1125/4885MAPT 3111/4885GAA 4452/4885

“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.

Send feedback