SCHEMBL5103647

SCHEMBL5103647

Cn1cc(-c2ccnc(Nc3cccc(CN4CCN(CCO)CC4)c3)n2)c(-c2ccc(N)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.53
▸ JAK2 O60674 7/20 0.51
▸ JAK3 P52333 6/20 0.51
▸ PLK4 O00444 1/20 0.47
▸ ABL1 P00519 3/20 0.46
▸ BCR P11274 3/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ AIMP2 Q13155 1/20 0.43
▸ PTK2 Q05397 2/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL5103235 0.92 JAK2 (0.58) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL5094669 0.89 ACVR1 (0.57) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL5097014 0.89 FLT3 (0.49) ACVR1JAK2JAK3AIMP2PTK2
SCHEMBL5103237 0.89 JAK2 (0.50) ACVR1JAK2JAK3ABL1BCR
SCHEMBL4763658 0.88 JAK2 (0.51) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL5094766 0.87 JAK2 (0.51) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL5090937 0.87 ACVR1 (0.57) ACVR1JAK2JAK3PLK4
SCHEMBL4629751 0.86 ACVR1 (0.49) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL3271487 0.85 JAK2 (0.61) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL4629323 0.81 JAK2 (0.57) ACVR1JAK2JAK3ABL1BCR

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 ACVR1 1609/4885JAK2 205/4885JAK3 90/4885

“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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