SCHEMBL4518606

SCHEMBL4518606

COc1cc(Nc2nccc(-c3c[nH]c4ccccc34)n2)ccc1N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.60
▸ CDK9 P50750 6/20 0.60
▸ IGF1R P08069 3/20 0.57
▸ FLT3 P36888 2/20 0.56
▸ MKNK1 Q9BUB5 1/20 0.56
▸ MKNK2 Q9HBH9 1/20 0.56
▸ EGFR P00533 2/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ BRD4 O60885 1/20 0.53
▸ RET P07949 1/20 0.52
▸ CDK2 P24941 5/20 0.52
▸ CCNA2 P20248 4/20 0.52
▸ JAK2 O60674 2/20 0.51
▸ JAK3 P52333 1/20 0.51
▸ ABL1 P00519 1/20 0.49
▸ BCR P11274 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ PRKACG P22612 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
SCHEMBL3052850 0.84 FLT3 (0.73) CCNT1CDK9FLT3MKNK1MKNK2
SCHEMBL4506765 0.81 FLT3 (0.62) CCNT1CDK9IGF1RFLT3MKNK1
SCHEMBL4518219 0.80 RET (0.79) CDK9IGF1RFLT3MKNK1MKNK2
SCHEMBL4592600 0.79 CCNT1 (0.57) CCNT1CDK9IGF1RKCNH2CDK2
SCHEMBL13588456 0.78 JAK2 (0.67) CCNT1CDK9IGF1RKCNH2JAK2
SCHEMBL3048370 0.78 CDK2 (0.59) CCNT1CDK9IGF1RFLT3EGFR
SCHEMBL4510061 0.78 FLT3 (0.56) CCNT1CDK9IGF1RFLT3MKNK1
Hydrochloric Acid SCHEMBL4383810 0.78 JAK2 (0.66) CCNT1CDK9IGF1RKCNH2JAK2
SCHEMBL8093455 0.78 JAK2 (0.61) CCNT1CDK9IGF1REGFRKCNH2
SCHEMBL4159168 0.77 CDK2 (0.71) CCNT1CDK9IGF1RFLT3MKNK2

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 CCNT1 1014/4885CDK9 185/4885IGF1R 408/4885

“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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