SCHEMBL4513070

SCHEMBL4513070

O=[N+]([O-])c1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.64
BCR P11274 4/20 0.64
PRKCA P17252 4/20 0.64
CDK2 P24941 7/20 0.62
CDK4 P11802 6/20 0.62
EGFR P00533 2/20 0.60
SRC P12931 2/20 0.60
PRKACA P17612 1/20 0.59
PRKACG P22612 1/20 0.59
PRKACB P22694 1/20 0.59
PRKCD Q05655 1/20 0.59
GSK3B P49841 2/20 0.57
SLC2A1 P11166 1/20 0.57
PTK6 Q13882 1/20 0.57
PLK1 P53350 1/20 0.56
FLT3 P36888 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54

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
SCHEMBL144954 0.82 CCNB2 (0.76) ABL1BCRPRKCACDK2EGFR
SCHEMBL31588329 0.82 CCNB2 (0.76) ABL1BCRPRKCACDK2EGFR
SCHEMBL13608591 0.82 EGFR (0.62) ABL1BCRPRKCACDK2EGFR
SCHEMBL29129146 0.81 EGFR (0.65) CDK2EGFRPTK6CDK1CCNB1
SCHEMBL17831508 0.81 FLT3 (0.65) ABL1BCRPRKCACDK2CDK4
SCHEMBL824007 0.80 ABL1 (0.84) ABL1BCRPRKCACDK2CDK4
SCHEMBL1886 0.78 ABL1 (1.00) ABL1BCRPRKCACDK2CDK4
SCHEMBL140969 0.77 CCNB2 (0.64) ABL1BCRPRKCACDK2CDK4
SCHEMBL5206934 0.76 CDK2 (1.00) ABL1BCRPRKCACDK2CDK4
SCHEMBL1144 0.76 ABL1 (1.00) ABL1BCRPRKCACDK2CDK4

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
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US claimed
CN-101111490-A 4- (1H-indol-3-yl) -pyrimidin-2-ylamine derivatives and their therapeutic use CYCLACEL LTD (GB) 2008-01-23 CN claimed
EP-1836194-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2007-09-26 EP claimed
WO-2006075152-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2006-07-20 WO claimed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
US-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy CYCLACEL LIMITED (GB) 2009-12-24 US disclosed
CN-101111490-A 4- (1H-indol-3-yl) -pyrimidin-2-ylamine derivatives and their therapeutic use CYCLACEL LTD (GB) 2008-01-23 CN disclosed
EP-1836194-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2007-09-26 EP disclosed
WO-2006075152-A1 4- (1H-INDOL-3-YL) -PYRIMIDIN-2-YLAMINE DERIVATES AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2006-07-20 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-20090318446-A1 4-(1H-Indol-3-yl)-Pyrimidin-2-Ylamine Derivatives and Their Use in Therapy ABL1, CDK2, JAK2 ABL1 1/4885BCR 1680/4885PRKCA 292/4885

“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.