SCHEMBL1447802

SCHEMBL1447802

CCn1c(/C=C/C(=O)N(C)C)cnc1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.33
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL5244620 1.00 MLYCD (0.33) MLYCDMAP3K7TAB1CCNCCDK8
SCHEMBL1447930 0.78 NR4A2 (0.32) MAP3K7TAB1
SCHEMBL1447711 0.76 PDE1A (0.33)
SCHEMBL1447958 0.72 CYP1A2 (0.36)
SCHEMBL4753112 0.70
SCHEMBL4248546 0.68 CDK2 (0.37) MAP3K7TAB1CCNCCDK8MET
SCHEMBL27713655 0.67 HCAR3 (0.34) MLYCD
SCHEMBL4699937 0.64
SCHEMBL5186049 0.63 CDK2 (0.35) MAP3K7TAB1MET
SCHEMBL1448133 0.63 CDK2 (0.35) MAP3K7TAB1MET

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 3 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-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

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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 MLYCD 3015/4885MAP3K7 298/4885TAB1 1989/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP MLYCD 1401/4885MAP3K7 1141/4885TAB1 3513/4885

“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.