SCHEMBL4496547

SCHEMBL4496547

Cc1cc(N2CCOCC2)ccc1Nc1nccc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.59
▸ CDK1 P06493 6/20 0.58
▸ CCNB1 P14635 6/20 0.58
▸ CCNB2 O95067 5/20 0.58
▸ CCNB3 Q8WWL7 5/20 0.58
▸ MKNK1 Q9BUB5 2/20 0.54
▸ MKNK2 Q9HBH9 2/20 0.54
▸ CCNT1 O60563 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CDK2 P24941 5/20 0.53
▸ IGF1R P08069 4/20 0.53
▸ DYRK1B Q9Y463 4/20 0.53
▸ RET P07949 4/20 0.52
▸ TTK P33981 1/20 0.50
▸ PDGFRB P09619 1/20 0.49
▸ CCNE1 P24864 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ MNAT1 P51948 1/20 0.48
▸ JAK2 O60674 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
SCHEMBL3052850 0.86 FLT3 (0.73) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4506765 0.83 FLT3 (0.62) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL3042306 0.78 FLT3 (0.78) FLT3CDK1CCNB1MKNK1MKNK2
SCHEMBL3035592 0.77 JAK2 (0.66) FLT3CCNT1CDK9JAK2
SCHEMBL4175430 0.77 CDK2 (0.76) FLT3CDK1CCNB1MKNK2CCNT1
SCHEMBL4518606 0.77 CCNT1 (0.60) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4517977 0.76 FLT3 (0.73) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL13602052 0.75 FLT3 (0.66) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4509719 0.75 FLT3 (0.66) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4518393 0.75 FLT3 (0.66) FLT3CDK1CCNB1CCNB2CCNB3

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
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 91/4885CDK1 49/4885CCNB1 1016/4885

“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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