SCHEMBL4249171

SCHEMBL4249171

Cc1ncc(-c2nc(Nc3cc(Cl)cc(Cl)c3)ncc2F)n1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45
CDK2 P24941 15/20 0.45
CDK1 P06493 4/20 0.43
SYK P43405 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK9 P50750 1/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
STAT5A P42229 1/20 0.39
ACVR1 Q04771 1/20 0.39
PKMYT1 Q99640 1/20 0.39

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
SCHEMBL13878944 0.82 CDK2 (0.52) KCNH2CDK2CDK1SYKCCNE2
SCHEMBL13891439 0.80 KCNH2 (0.46) KCNH2CDK2CDK1CCNE2CCNE1
SCHEMBL4251077 0.79 KCNH2 (0.47) KCNH2CDK2CDK1CCNE2CCNE1
SCHEMBL13891512 0.79 CDK2 (0.51) KCNH2CDK2CDK1CCNE2CCNE1
SCHEMBL4251221 0.77 HDAC3 (0.48) KCNH2CDK2SYKCDK9SRC
SCHEMBL4249690 0.77 CDK1 (0.64) KCNH2CDK2CDK1CCNE2CCNE1
SCHEMBL4245161 0.76 SMN1; SMN2 (0.42) KCNH2CDK2CDK1
SCHEMBL28773006 0.75 CDK2 (0.50) KCNH2CDK2CDK1CCNE2CCNE1
SCHEMBL4019621 0.75 CDK2 (0.53) KCNH2CDK2CDK1CCNE1CDK9
SCHEMBL3939756 0.75 AXL (0.61) KCNH2CDK2CDK1CCNE2FGFR1

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 6 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
EP-1945628-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) 2008-07-23 EP 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 KCNH2 4085/4885CDK2 174/4885CDK1 253/4885

“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.