SCHEMBL4517459

SCHEMBL4517459

Cn1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.75
▸ EGFR P00533 6/20 0.66
▸ KDR P35968 1/20 0.65
▸ PTK2 Q05397 1/20 0.65
▸ JAK2 O60674 5/20 0.64
▸ CCNT1 O60563 2/20 0.63
▸ CDK9 P50750 2/20 0.63
▸ PLK4 O00444 1/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ AURKA O14965 1/20 0.55
▸ CDK4 P11802 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ ACVR1 Q04771 1/20 0.54
▸ JAK3 P52333 1/20 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
SCHEMBL17553781 0.88 FLT3 (0.60) FLT3EGFRKDRPTK2JAK2
SCHEMBL26980297 0.87 JAK2 (0.61) FLT3EGFRKDRPTK2JAK2
SCHEMBL4499528 0.86 FLT3 (0.69) FLT3KDRPTK2JAK2CCNT1
SCHEMBL4518391 0.86 FLT3 (1.00) FLT3EGFRCCNT1CDK9HDAC1
SCHEMBL17542602 0.84 FLT3 (0.58) FLT3EGFRKDRPTK2JAK2
SCHEMBL29174371 0.84 EGFR (0.62) FLT3EGFRKDRPTK2CCNT1
SCHEMBL29896599 0.83 CCNT1 (0.65) FLT3EGFRCCNT1CDK9HDAC1
SCHEMBL29896672 0.83 CCNT1 (0.65) FLT3EGFRCCNT1CDK9HDAC1
SCHEMBL29174394 0.83 CCNT1 (0.65) FLT3EGFRCCNT1CDK9HDAC1
SCHEMBL29174415 0.83 CCNT1 (0.65) FLT3EGFRCCNT1CDK9HDAC1

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 91/4885EGFR 598/4885KDR 880/4885

“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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