SCHEMBL1447488

SCHEMBL1447488

Cc1ncc(C(=O)/C(F)=C\N(C)C)n1C1CCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
CDK2 P24941 2/20 0.32
ALDH1A1 P00352 1/20 0.30
CDK1 P06493 1/20 0.30
CDK9 P50750 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1447489 1.00 CDK4 (0.32) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL1447487 1.00 CDK4 (0.32) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4247550 0.97 CDK4 (0.34) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4247545 0.97 CDK4 (0.34) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4247546 0.97 CDK4 (0.34) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4243652 0.96 CDK4 (0.36) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4248370 0.96 CDK4 (0.36) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4248372 0.96 CDK4 (0.36) CDK4CCND1CDK2ALDH1A1CDK1
SCHEMBL4252151 0.89 JAK2 (0.33)
SCHEMBL4251257 0.89 JAK1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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 (3 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 CDK4 2/4885CCND1 34/4885CDK2 4/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI CDK4 57/4885CCND1 26/4885CDK2 84/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP CDK4 25/4885CCND1 27/4885CDK2 13/4885

“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.