SCHEMBL4629334

SCHEMBL4629334

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.48
▸ BCR P11274 2/20 0.48
▸ ACVR1 Q04771 11/20 0.46
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ AXL P30530 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ STK17B O94768 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ SIK2 Q9H0K1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ STK17A Q9UEE5 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
SCHEMBL4629212 0.91 ACVR1 (0.50) ABL1BCRACVR1AURKAAURKB
SCHEMBL5090825 0.86 ABL1 (0.56) ABL1BCRACVR1AURKAAURKB
SCHEMBL5097233 0.84 ACVR1 (0.46) ABL1BCRACVR1AXLTYRO3
SCHEMBL4628223 0.82 ABL1 (0.55) ABL1BCRACVR1AURKAAURKB
SCHEMBL5103291 0.82 PIK3CA (0.49) ABL1BCRACVR1
SCHEMBL4628222 0.80 JAK2 (0.54) ABL1BCRACVR1JAK2HDAC1
SCHEMBL4629179 0.80 ABL1 (0.55) ABL1BCRACVR1AURKAAURKB
SCHEMBL5096887 0.79 AURKA (0.58) ABL1BCRACVR1AURKAAURKB
SCHEMBL5096947 0.79 ACVR1 (0.62) ABL1BCRACVR1AURKAAURKB
SCHEMBL4629155 0.78 ABL1 (0.52) ABL1BCRACVR1AURKAAURKB

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 ABL1 55/4885BCR 1018/4885ACVR1 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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