SCHEMBL4518219

SCHEMBL4518219

COc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.79
FLT3 P36888 4/20 0.68
MKNK1 Q9BUB5 2/20 0.68
MKNK2 Q9HBH9 2/20 0.68
CDK1 P06493 3/20 0.59
CCNB2 O95067 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
PRKCA P17252 2/20 0.57
PRKCD Q05655 2/20 0.57
PRKD3 O94806 1/20 0.57
PRKCG P05129 1/20 0.57
PRKCB P05771 1/20 0.57
LCK P06239 1/20 0.57
PRKCH P24723 1/20 0.57
PRKCI P41743 1/20 0.57
ZAP70 P43403 1/20 0.57
PRKCE Q02156 1/20 0.57
PRKCQ Q04759 1/20 0.57
PRKCZ Q05513 1/20 0.57

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
SCHEMBL12723009 0.88 RET (0.71) RETFLT3MKNK1MKNK2CDK1
SCHEMBL3773981 0.88 RET (1.00) RETCDK1CCNB2CCNB1CCNB3
SCHEMBL4509559 0.87 FLT3 (0.71) RETFLT3MKNK1MKNK2CDK1
SCHEMBL140969 0.83 CCNB2 (0.64) RETFLT3MKNK1MKNK2CDK1
SCHEMBL17831600 0.82 MKNK1 (0.74) RETFLT3MKNK1MKNK2CDK1
SCHEMBL4362670 0.82 RET (0.68) RETFLT3CDK1PRKCAPRKCD
SCHEMBL31588329 0.81 CCNB2 (0.76) RETFLT3MKNK1MKNK2CDK1
SCHEMBL144954 0.81 CCNB2 (0.76) RETFLT3MKNK1MKNK2CDK1
SCHEMBL4507802 0.81 FLT3 (0.60) RETFLT3MKNK1MKNK2CDK1
SCHEMBL19494757 0.80 FLT3 (0.70) RETFLT3MKNK1MKNK2CDK1

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 8 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
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
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
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 RET 734/4885FLT3 91/4885MKNK1 109/4885

“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.