SCHEMBL5090878

SCHEMBL5090878

CN1CCN(Cc2cccc(Nc3nccc(-c4cn(CCO)nc4-c4ccc([N+](=O)[O-])cc4)n3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.54
▸ JAK3 P52333 6/20 0.54
▸ ACVR1 Q04771 9/20 0.54
▸ ABL1 P00519 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ PTK2 Q05397 2/20 0.45
▸ KIT P10721 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCND3 P30281 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ GSK3B P49841 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
SCHEMBL5103295 0.94 ACVR1 (0.54) JAK2JAK3ACVR1ABL1BCR
SCHEMBL5103237 0.90 JAK2 (0.50) JAK2JAK3ACVR1ABL1PDGFRB
SCHEMBL5094669 0.89 ACVR1 (0.57) JAK2JAK3ACVR1ABL1PDGFRB
SCHEMBL5103672 0.88 CDK2 (0.52) JAK2ACVR1SRCSYKCCNA2
SCHEMBL5090950 0.86 ABL1 (0.57) JAK2JAK3ACVR1ABL1BCR
SCHEMBL5097244 0.85 JAK2 (0.56) JAK2JAK3ACVR1ABL1PDGFRB
SCHEMBL5094850 0.85 JAK2 (0.54) JAK2JAK3ACVR1ABL1PDGFRB
SCHEMBL5103291 0.84 PIK3CA (0.49) ACVR1ABL1BCRSRCCCNA2
SCHEMBL5090937 0.83 ACVR1 (0.57) JAK2JAK3ACVR1
SCHEMBL5096887 0.81 AURKA (0.58) JAK2JAK3ACVR1ABL1BCR

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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