SCHEMBL5090937

SCHEMBL5090937

Nc1ccc(-c2nn(CCO)cc2-c2ccnc(Nc3cccc(CN4CCCC4)c3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 11/20 0.57
▸ JAK2 O60674 4/20 0.53
▸ JAK3 P52333 4/20 0.53
▸ PLK4 O00444 1/20 0.47
▸ IGF1R P08069 2/20 0.44
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43

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
SCHEMBL5094669 0.94 ACVR1 (0.57) ACVR1JAK2JAK3PLK4
SCHEMBL5103295 0.89 ACVR1 (0.54) ACVR1JAK2JAK3IGF1RAURKA
SCHEMBL5103235 0.89 JAK2 (0.58) ACVR1JAK2JAK3PLK4IGF1R
SCHEMBL5103647 0.87 ACVR1 (0.53) ACVR1JAK2JAK3PLK4
SCHEMBL5096887 0.87 AURKA (0.58) ACVR1JAK2JAK3PLK4IGF1R
SCHEMBL5103305 0.86 ABL1 (0.59) ACVR1JAK2JAK3PLK4
SCHEMBL5097233 0.84 ACVR1 (0.46) ACVR1
SCHEMBL5090878 0.83 JAK2 (0.54) ACVR1JAK2JAK3
SCHEMBL5097325 0.82 FLT3 (0.55) ACVR1JAK2JAK3PLK4AURKB
SCHEMBL5094850 0.81 JAK2 (0.54) ACVR1JAK2JAK3PLK4AURKA

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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