SCHEMBL4518385

SCHEMBL4518385

CC(=O)C1CNCCN1c1ccc(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.66
▸ EGFR P00533 11/20 0.60
▸ HDAC1 Q13547 6/20 0.54
▸ CCNT1 O60563 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ HDAC3 O15379 3/20 0.50
▸ HDAC4 P56524 3/20 0.50
▸ HDAC7 Q8WUI4 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ HDAC10 Q969S8 3/20 0.50
▸ HDAC11 Q96DB2 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC9 Q9UKV0 3/20 0.50
▸ HDAC5 Q9UQL6 3/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL4513557 0.85 FLT3 (0.66) FLT3EGFRCCNT1CDK9MKNK1
SCHEMBL4510760 0.80 CDK2 (0.49) FLT3EGFRCCNT1CDK9
SCHEMBL4518391 0.79 FLT3 (1.00) FLT3EGFRHDAC1CCNT1CDK9
SCHEMBL2547336 0.76 EGFR (0.71) FLT3EGFRHDAC1CCNT1CDK9
SCHEMBL4517459 0.76 FLT3 (0.75) FLT3EGFRHDAC1CCNT1CDK9
SCHEMBL28637607 0.74 EGFR (0.68) FLT3EGFRHDAC1HDAC3HDAC4
SCHEMBL30129576 0.74 EGFR (0.68) FLT3EGFRHDAC1HDAC3HDAC4
SCHEMBL30129517 0.74 EGFR (0.68) FLT3EGFRHDAC1HDAC3HDAC4
SCHEMBL30129279 0.72 MKNK2 (0.73) FLT3EGFRHDAC1HDAC3HDAC4
SCHEMBL4499548 0.72 FLT3 (0.61) FLT3EGFRCCNT1CDK9MKNK1

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 4 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

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 598/4885HDAC1 1038/4885

“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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