SCHEMBL4508216

SCHEMBL4508216

c1ccc(CN2CCN(c3ccc(Nc4nccc(-c5c[nH]c6ccccc56)n4)cc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.69
▸ GSK3B P49841 1/20 0.58
▸ ACVR1 Q04771 1/20 0.57
▸ CDK1 P06493 5/20 0.56
▸ CCNB1 P14635 4/20 0.56
▸ CDK2 P24941 3/20 0.56
▸ CCNE1 P24864 2/20 0.56
▸ KDM1A O60341 1/20 0.53
▸ RET P07949 2/20 0.52
▸ CCNB2 O95067 1/20 0.51
▸ CCNB3 Q8WWL7 1/20 0.51
▸ IGF1R P08069 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ CDK7 P50613 2/20 0.49
▸ CCNH P51946 2/20 0.49
▸ MNAT1 P51948 2/20 0.49
▸ EIF2AK2 P19525 1/20 0.48
▸ JAK2 O60674 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
SCHEMBL3042306 0.86 FLT3 (0.78) FLT3GSK3BCDK1CCNB1CDK2
SCHEMBL4508214 0.85 FLT3 (0.57) FLT3CDK1CCNB1CDK2RET
SCHEMBL4517977 0.85 FLT3 (0.73) FLT3ACVR1CDK1CCNB1CDK2
SCHEMBL3052850 0.85 FLT3 (0.73) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL3056269 0.82 FLT3 (1.00) FLT3GSK3BACVR1CDK1CCNB1
SCHEMBL144954 0.80 CCNB2 (0.76) FLT3GSK3BCDK1CCNB1CDK2
SCHEMBL31588329 0.80 CCNB2 (0.76) FLT3GSK3BCDK1CCNB1CDK2
SCHEMBL3046183 0.79 FLT3 (0.76) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL4511287 0.79 FLT3 (0.67) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL4508211 0.78 FLT3 (0.55) FLT3CDK1CCNB1CDK2CCNE1

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 91/4885GSK3B 110/4885ACVR1 3472/4885

“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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