SCHEMBL5103235

SCHEMBL5103235

Cn1cc(-c2ccnc(Nc3cccc(CN4CCCC4)c3)n2)c(-c2ccc(N)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.58
▸ JAK3 P52333 5/20 0.58
▸ ACVR1 Q04771 4/20 0.56
▸ PLK4 O00444 1/20 0.49
▸ IGF1R P08069 2/20 0.44
▸ ABL1 P00519 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ MAPK3 P27361 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AIMP2 Q13155 1/20 0.42
▸ CDK5 Q00535 1/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL5103647 0.92 ACVR1 (0.53) JAK2JAK3ACVR1PLK4ABL1
SCHEMBL5090937 0.89 ACVR1 (0.57) JAK2JAK3ACVR1PLK4IGF1R
SCHEMBL5097244 0.88 JAK2 (0.56) JAK2JAK3ACVR1IGF1RABL1
SCHEMBL4629323 0.86 JAK2 (0.57) JAK2JAK3ACVR1IGF1RABL1
SCHEMBL3271487 0.86 JAK2 (0.61) JAK2JAK3ACVR1PLK4ABL1
SCHEMBL4629859 0.86 JAK2 (0.56) JAK2JAK3ACVR1PLK4IGF1R
SCHEMBL4658323 0.86 JAK2 (0.56) JAK2JAK3ACVR1PLK4IGF1R
SCHEMBL5103276 0.85 JAK2 (0.54) JAK2JAK3ACVR1PLK4IGF1R
SCHEMBL5094669 0.84 ACVR1 (0.57) JAK2JAK3ACVR1PLK4ABL1
SCHEMBL5090939 0.81 FLT3 (0.60) JAK2JAK3ACVR1PLK4SRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — 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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 JAK2 205/4885JAK3 90/4885ACVR1 1609/4885

“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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