SCHEMBL4499528

SCHEMBL4499528

CC(=O)n1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.69
▸ JAK2 O60674 10/20 0.59
▸ KDR P35968 1/20 0.58
▸ PTK2 Q05397 1/20 0.58
▸ CCNT1 O60563 2/20 0.57
▸ CDK9 P50750 2/20 0.57
▸ CDK1 P06493 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ CCNE1 P24864 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ JAK3 P52333 6/20 0.54
▸ JAK1 P23458 3/20 0.54
▸ TYK2 P29597 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ NCOR1 O75376 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 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
SCHEMBL4509512 0.89 FLT3 (0.59) FLT3JAK2KDRPTK2CCNT1
SCHEMBL4517459 0.86 FLT3 (0.75) FLT3JAK2KDRPTK2CCNT1
SCHEMBL4518391 0.82 FLT3 (1.00) FLT3CCNT1CDK9CDK1CCNB1
SCHEMBL4391823 0.79 JAK2 (0.72) JAK2KDRPTK2JAK3JAK1
SCHEMBL16295706 0.77 JAK2 (0.68) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL29896599 0.76 CCNT1 (0.65) FLT3CCNT1CDK9HDAC3HDAC1
SCHEMBL29896672 0.76 CCNT1 (0.65) FLT3CCNT1CDK9HDAC3HDAC1
SCHEMBL29174394 0.76 CCNT1 (0.65) FLT3CCNT1CDK9HDAC3HDAC1
SCHEMBL29174415 0.76 CCNT1 (0.65) FLT3CCNT1CDK9HDAC3HDAC1
SCHEMBL2542950 0.76 ACVR1 (0.61) FLT3JAK2KDRPTK2CCNT1

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 91/4885JAK2 3/4885KDR 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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