SCHEMBL1447697

SCHEMBL1447697

CCn1c(-c2ccnc(N)n2)cnc1C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.46
DYRK3 O43781 2/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
CDK2 P24941 2/20 0.45
CCNA2 P20248 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
MAP3K14 Q99558 1/20 0.41
JAK2 O60674 1/20 0.40
HSP90AA1 P07900 2/20 0.36
AURKA O14965 1/20 0.36
PRKACA P17612 1/20 0.36
ADORA2A P29274 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PTK2 Q05397 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1448021 0.88 CDC7 (0.46) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL6595714 0.80 CDK2 (0.52) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL1447550 0.78 CDC7 (0.46) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL1447097 0.76 CDC7 (0.48) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL6596532 0.71 DYRK1A (0.45) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL27534151 0.70 CDC7 (0.54) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL6595871 0.69 DYRK1A (0.45) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL5258483 0.69 CDC7 (0.46) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL4022085 0.68 CDC7 (0.51) CDC7DYRK3CCNT1CDK9DYRK1A
SCHEMBL4030274 0.67 CDK2 (0.54) CDC7DYRK3CCNT1CDK9DYRK1A

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 7 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
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
EP-1828183-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (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 CDC7 90/4885DYRK3 1684/4885CCNT1 20/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP CDC7 112/4885DYRK3 3588/4885CCNT1 20/4885

“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.