SCHEMBL4243652

SCHEMBL4243652

Cc1ncc(C(=O)/C(F)=C/N(C)C)n1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.36
CCND1 P24385 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CDK2 P24941 2/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
JAK3 P52333 2/20 0.32
ALOX15 P16050 1/20 0.32
CDK1 P06493 1/20 0.32
CDK9 P50750 1/20 0.32
HCAR1 Q9BXC0 2/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
AURKA O14965 1/20 0.31
PRKCA P17252 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4248372 1.00 CDK4 (0.36) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL4248370 1.00 CDK4 (0.36) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL4247545 0.99 CDK4 (0.34) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL4247546 0.99 CDK4 (0.34) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL4247550 0.99 CDK4 (0.34) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL1447488 0.96 CDK4 (0.32) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL1447487 0.96 CDK4 (0.32) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL1447489 0.96 CDK4 (0.32) CDK4CCND1L3MBTL1CDK2ALDH1A1
SCHEMBL4251257 0.88 JAK1 (0.34) JAK3ALOX15JAK2JAK1
SCHEMBL4252154 0.88 JAK2 (0.33) JAK3JAK2JAK1

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 CDK4 746/4885CCND1 149/4885L3MBTL1 1914/4885

“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.