SCHEMBL4508211

SCHEMBL4508211

c1ccc(CC2CNCCN2c2ccc(Nc3nccc(-c4c[nH]c5ccccc45)n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 4/20 0.55
▸ SLC6A4 P31645 7/20 0.52
▸ SLC6A3 Q01959 7/20 0.52
▸ SLC6A2 P23975 6/20 0.52
▸ CDK1 P06493 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ RET P07949 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK8 P45983 2/20 0.45
▸ MAPK9 P45984 2/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ EIF2AK2 P19525 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ SRC P12931 1/20 0.45

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
SCHEMBL4499548 0.86 FLT3 (0.61) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4513557 0.83 FLT3 (0.66) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4517977 0.81 FLT3 (0.73) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4508216 0.78 FLT3 (0.69) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL31588329 0.76 CCNB2 (0.76) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL144954 0.76 CCNB2 (0.76) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL3052850 0.76 FLT3 (0.73) FLT3CDK1CCNB1CCNB2CCNB3
SCHEMBL4506777 0.76 MAPK8 (0.52) FLT3MKNK1MKNK2MAPK8MAPK9
SCHEMBL3042306 0.75 FLT3 (0.78) FLT3CDK1CCNB1MKNK1MKNK2
SCHEMBL7467183 0.74 FLT3 (0.60) 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
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 FLT3 91/4885SLC6A4 1407/4885SLC6A3 1536/4885

“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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