SCHEMBL4518388

SCHEMBL4518388

CC(=O)N1CCN(c2ccccc2Nc2nccc(-c3cn(C)c4ccccc34)n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.75
▸ EGFR P00533 10/20 0.57
▸ MKNK1 Q9BUB5 1/20 0.52
▸ MKNK2 Q9HBH9 1/20 0.52
▸ CDK1 P06493 2/20 0.51
▸ CCNB1 P14635 2/20 0.51
▸ CCNE1 P24864 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CDK7 P50613 1/20 0.51
▸ CCNH P51946 1/20 0.51
▸ MNAT1 P51948 1/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ CCNT1 O60563 1/20 0.49
▸ CDK9 P50750 1/20 0.49

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
SCHEMBL4518391 0.85 FLT3 (1.00) FLT3EGFRCDK1CCNB1CCNE1
SCHEMBL4513560 0.82 FLT3 (0.75) FLT3EGFRMKNK1MKNK2CDK1
SCHEMBL4510766 0.77 CDK2 (0.57) FLT3EGFRCDK1CCNB1CCNE1
SCHEMBL28857038 0.75 MKNK1 (0.64) FLT3EGFRMKNK1MKNK2CDK1
SCHEMBL30129335 0.74 MKNK2 (0.79) EGFRMKNK1MKNK2CDK1CCNB1
SCHEMBL19540924 0.74 EGFR (0.72) EGFRMKNK1MKNK2
SCHEMBL2547336 0.74 EGFR (0.71) FLT3EGFRMKNK1MKNK2HDAC1
SCHEMBL31367926 0.73 EGFR (0.72) FLT3EGFRMKNK1MKNK2CDK2
SCHEMBL14719016 0.73 EGFR (0.72) FLT3EGFRMKNK1MKNK2CDK2
SCHEMBL14663468 0.73 EGFR (0.75) EGFRMKNK1MKNK2CDK2HDAC1

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 6 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
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 91/4885EGFR 598/4885MKNK1 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.

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