SCHEMBL4629170

SCHEMBL4629170

CCN(CC)C(=O)Nc1ccc(-c2nn(CCO)cc2-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 10/20 0.53
▸ JAK2 O60674 5/20 0.50
▸ FLT3 P36888 4/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ KIT P10721 2/20 0.48
▸ LDLR P01130 1/20 0.48
▸ PCSK9 Q8NBP7 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ MNAT1 P51948 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ CSF1R P07333 1/20 0.45

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
SCHEMBL4628140 0.92 JAK2 (0.53) ACVR1JAK2FLT3CDK2CCNE1
SCHEMBL5094850 0.89 JAK2 (0.54) ACVR1JAK2FLT3KITHDAC1
SCHEMBL4629688 0.89 JAK2 (0.50) ACVR1JAK2FLT3CDK2CCNE1
SCHEMBL5097325 0.86 FLT3 (0.55) ACVR1JAK2FLT3CDK2CCNE1
SCHEMBL5103672 0.84 CDK2 (0.52) ACVR1JAK2FLT3CDK2CCNE1
SCHEMBL4763579 0.83 ACVR1 (0.55) ACVR1JAK2CDK1CCNB1KDR
SCHEMBL5094889 0.83 ACVR1 (0.60) ACVR1JAK2FLT3CDK2CCNE1
SCHEMBL4629751 0.79 ACVR1 (0.49) ACVR1JAK2FLT3KITPLK4
SCHEMBL4629829 0.78 JAK2 (0.58) ACVR1JAK2FLT3CDK2CCNE1
SCHEMBL5103304 0.78 KIT (0.57) ACVR1JAK2FLT3CDK2CCNE1

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 4 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

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 205/4885FLT3 152/4885

“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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