SCHEMBL4510766

SCHEMBL4510766

COc1cccc2c(-c3ccnc(Nc4ccccc4N4CCN(C(C)=O)CC4)n3)c[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.57
▸ IGF1R P08069 4/20 0.57
▸ DYRK1B Q9Y463 2/20 0.57
▸ FLT3 P36888 4/20 0.56
▸ CDK1 P06493 3/20 0.55
▸ CCNB1 P14635 3/20 0.55
▸ CCNE1 P24864 2/20 0.55
▸ EGFR P00533 3/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ CCNB2 O95067 1/20 0.53
▸ CCNB3 Q8WWL7 1/20 0.53
▸ CDK7 P50613 1/20 0.52
▸ CCNH P51946 1/20 0.52
▸ MNAT1 P51948 1/20 0.52
▸ JAK1 P23458 8/20 0.50
▸ JAK2 O60674 5/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ NFATC1 O95644 1/20 0.48
▸ GSK3B P49841 1/20 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
SCHEMBL4510772 0.86 FLT3 (0.74) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL4513560 0.86 FLT3 (0.75) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL4518388 0.77 FLT3 (0.75) CDK2FLT3CDK1CCNB1CCNE1
SCHEMBL4506343 0.76 FLT3 (0.73) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL13602048 0.75 FLT3 (0.78) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL13602046 0.74 FLT3 (0.77) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL4499554 0.74 IGF1R (0.64) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL4506349 0.72 FLT3 (0.77) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL3056269 0.72 FLT3 (1.00) CDK2IGF1RDYRK1BFLT3CDK1
SCHEMBL29375690 0.72 EGFR (0.67) IGF1REGFRKCNH2

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 CDK2 2/4885IGF1R 408/4885DYRK1B 392/4885

“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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