SCHEMBL13602045

SCHEMBL13602045

COc1ccc2c(-c3ccnc(Nc4ccc(N5CCN(C(C)=O)CC5)cc4)n3)c[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.76
▸ CDK2 P24941 9/20 0.69
▸ CDK1 P06493 5/20 0.69
▸ CCNB1 P14635 3/20 0.69
▸ CCNE1 P24864 2/20 0.69
▸ IGF1R P08069 5/20 0.66
▸ DYRK1B Q9Y463 4/20 0.66
▸ CDK7 P50613 6/20 0.56
▸ CCNH P51946 2/20 0.56
▸ MNAT1 P51948 2/20 0.56
▸ AURKA O14965 4/20 0.56
▸ CDK9 P50750 4/20 0.56
▸ AURKB Q96GD4 4/20 0.56
▸ CDK4 P11802 3/20 0.56
▸ WEE1 P30291 2/20 0.51
▸ ALK Q9UM73 2/20 0.51
▸ SYK P43405 1/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49

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
SCHEMBL13602051 0.88 FLT3 (0.78) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3056269 0.86 FLT3 (1.00) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL4510772 0.82 FLT3 (0.74) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL13602048 0.79 FLT3 (0.78) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL13602046 0.78 FLT3 (0.77) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL4506349 0.76 FLT3 (0.77) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL4555951 0.75 FLT3 (0.65) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3042306 0.74 FLT3 (0.78) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3052529 0.74 JAK2 (0.58) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3048139 0.74 FLT3 (0.63) FLT3CDK2CDK1CCNB1CCNE1

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 2 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 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

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 91/4885CDK2 2/4885CDK1 49/4885

“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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