SCHEMBL4629212

SCHEMBL4629212

O=C(Nc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccnc(Nc3cccc(F)c3)n2)cc1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 8/20 0.50
▸ ABL1 P00519 3/20 0.46
▸ BCR P11274 2/20 0.46
▸ JAK2 O60674 3/20 0.46
▸ SLC2A1 P11166 1/20 0.43
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ IGF1R P08069 1/20 0.42

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
SCHEMBL4629334 0.91 ABL1 (0.48) ACVR1ABL1BCRJAK2AURKA
SCHEMBL5090825 0.88 ABL1 (0.56) ACVR1ABL1BCRJAK2AURKA
SCHEMBL4628223 0.88 ABL1 (0.55) ACVR1ABL1BCRJAK2AURKA
SCHEMBL5096947 0.87 ACVR1 (0.62) ACVR1ABL1BCRJAK2AURKA
SCHEMBL4629179 0.86 ABL1 (0.55) ACVR1ABL1BCRJAK2AURKA
SCHEMBL5090902 0.84 ABL1 (0.58) ACVR1ABL1BCRJAK2JAK3
SCHEMBL4628172 0.84 ABL1 (0.52) ACVR1ABL1BCRJAK2AURKA
SCHEMBL4629155 0.84 ABL1 (0.52) ACVR1ABL1BCRJAK2AURKA
SCHEMBL4628230 0.81 ACVR1 (0.58) ACVR1ABL1BCRJAK2SLC2A1
SCHEMBL5096763 0.80 ABL1 (0.52) ACVR1ABL1BCRJAK2AURKA

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 6 patents. 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 claimed
EP-1917258-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-05-07 — — EP claimed
WO-2007024843-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 — — WO claimed
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — US disclosed
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — US disclosed
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 1609/4885ABL1 55/4885BCR 1018/4885

“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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