SCHEMBL5241134

SCHEMBL5241134

CSc1nccc(-c2cnc(N)nc2-c2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
ADORA1 P30542 10/20 0.44
LMNA P02545 1/20 0.43
ADORA2A P29274 8/20 0.41
CSNK1E P49674 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
FEN1 P39748 1/20 0.41
MAPK14 Q16539 3/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
CSNK1D P48730 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL3054100 0.82 CCNA2 (0.47) CCNA2CDK2CCNT1CDK9ADORA1
SCHEMBL3812923 0.80 KMO (0.55) CCNA2CDK2CCNT1CDK9LMNA
SCHEMBL5239785 0.79 MAP4K4 (0.45) CCNA2CDK2ADORA1KDRAURKB
SCHEMBL5741625 0.79 CCNT1 (0.42) CCNA2CDK2CCNT1CDK9ADORA1
SCHEMBL5242020 0.79 ADORA1 (0.49) CCNA2CDK2CCNT1CDK9ADORA1
SCHEMBL5819641 0.77 TGFBR1 (0.45) CCNA2CDK2LMNACSNK1ECDK5
SCHEMBL5459579 0.77 ADORA1 (0.55) CCNA2CDK2CCNT1CDK9ADORA1
SCHEMBL5818427 0.77 KDM4E (0.42) CCNA2CDK2ADORA1LMNAADORA2A
SCHEMBL5451407 0.76 ADORA1 (0.55) ADORA1ADORA2AMAPK14MAPK13MAPK12
SCHEMBL5460965 0.76 ADORA1 (0.53) CCNA2CDK2CCNT1CDK9ADORA1

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
US-20070265273-A1 Pyrimidin-2-Amine Derivatives and Their Use as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-11-15 US disclosed
EP-1668000-A1 PYRIMIDIN-2-AMINE DERIVATIVES AND THEIR USE AS A2B ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-06-14 EP disclosed
WO-2005040155-A1 PYRIMIDIN-2-AMINE DERIVATES AND THEIR USE AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2005-05-06 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-20070265273-A1 Pyrimidin-2-Amine Derivatives and Their Use as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 CCNA2 209/4885CDK2 196/4885CCNT1 1683/4885

“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.