SCHEMBL4510061

SCHEMBL4510061

Cc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)ccc1N1CCSCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.56
▸ BRD4 O60885 1/20 0.55
▸ CCNT1 O60563 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ EGFR P00533 3/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ BCR P11274 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ PRKACG P22612 1/20 0.49
▸ PRKACB P22694 1/20 0.49
▸ PRKCD Q05655 1/20 0.49
▸ MKNK1 Q9BUB5 2/20 0.49
▸ MKNK2 Q9HBH9 2/20 0.49
▸ CDK1 P06493 6/20 0.48
▸ CCNB1 P14635 6/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CDK7 P50613 2/20 0.48

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
SCHEMBL4506349 0.86 FLT3 (0.77) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL3048370 0.80 CDK2 (0.59) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL4518606 0.78 CCNT1 (0.60) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL140969 0.76 CCNB2 (0.64) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL30556292 0.76 EGFR (0.54) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL22089640 0.76 EGFR (0.54) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL3042306 0.76 FLT3 (0.78) FLT3EGFRMKNK1MKNK2CDK1
SCHEMBL31588329 0.75 CCNB2 (0.76) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL144954 0.75 CCNB2 (0.76) FLT3BRD4CCNT1CDK9EGFR
SCHEMBL3052850 0.74 FLT3 (0.73) FLT3CCNT1CDK9MKNK1MKNK2

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 FLT3 91/4885BRD4 244/4885CCNT1 1014/4885

“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.

Send feedback