SCHEMBL4253979

SCHEMBL4253979

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)c(Cl)c3)ncc2F)n1C1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.54
CDK1 P06493 7/20 0.54
KCNH2 Q12809 5/20 0.47
NTRK1 P04629 1/20 0.46
ALK Q9UM73 1/20 0.46
CSF1R P07333 2/20 0.45
CDK4 P11802 2/20 0.45
CDK6 Q00534 2/20 0.45
PTK6 Q13882 2/20 0.44
CCNT1 O60563 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK9 P50750 1/20 0.43
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
AURKB Q96GD4 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
SCHEMBL13878969 0.90 CDK2 (0.52) CDK2CDK1KCNH2CSF1RCDK4
Hydrochloric Acid SCHEMBL4251790 0.89 CDK2 (0.52) CDK2CDK1KCNH2CSF1RCDK4
SCHEMBL13878972 0.89 CDK2 (0.52) CDK2CDK1KCNH2NTRK1ALK
Hydrochloric Acid SCHEMBL4253537 0.88 CDK2 (0.51) CDK2CDK1KCNH2NTRK1ALK
SCHEMBL3945135 0.88 CDK2 (0.70) CDK2CDK1KCNH2CDK6CCNT1
Hydrochloric Acid SCHEMBL4247230 0.87 CDK2 (0.69) CDK2CDK1KCNH2CDK6CCNT1
SCHEMBL4252194 0.86 CDK2 (0.57) CDK2CDK1NTRK1CDK6CCNT1
SCHEMBL3942238 0.86 CDK2 (0.57) CDK2CDK1KCNH2CCNT1CCNE1
Hydrochloric Acid SCHEMBL4246654 0.84 CDK2 (0.70) CDK2CDK1KCNH2CDK6CCNT1
SCHEMBL12861895 0.84 CDK2 (0.76) CDK2CDK1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US claimed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2007040440-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE ASTRAZENECA AB (SE) 2007-04-12 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-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease DPYD, TYMS, TYMP CDK2 174/4885CDK1 253/4885KCNH2 4085/4885

“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.