SCHEMBL4629688

SCHEMBL4629688

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.50
▸ ACVR1 Q04771 11/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ JAK3 P52333 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ FLT3 P36888 3/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ EGFR P00533 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ MNAT1 P51948 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
SCHEMBL4628140 0.93 JAK2 (0.53) JAK2ACVR1HDAC1HDAC6JAK3
SCHEMBL4629751 0.90 ACVR1 (0.49) JAK2ACVR1JAK3FLT3EGFR
SCHEMBL4629170 0.89 ACVR1 (0.53) JAK2ACVR1HDAC1HDAC6FLT3
SCHEMBL4628222 0.88 JAK2 (0.54) JAK2ACVR1HDAC1HDAC6JAK3
SCHEMBL5097014 0.86 FLT3 (0.49) JAK2ACVR1JAK3PTK2FLT3
SCHEMBL5090865 0.84 JAK2 (0.48) JAK2ACVR1JAK3PTK2FLT3
SCHEMBL5103276 0.84 JAK2 (0.54) JAK2ACVR1JAK3FLT3EGFR
SCHEMBL5094850 0.81 JAK2 (0.54) JAK2ACVR1HDAC1HDAC6JAK3
SCHEMBL4629829 0.80 JAK2 (0.58) JAK2ACVR1HDAC1HDAC6FLT3
SCHEMBL5103304 0.80 KIT (0.57) JAK2ACVR1HDAC1HDAC6JAK3

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 JAK2 205/4885ACVR1 1609/4885HDAC1 801/4885

“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.

Send feedback