SCHEMBL4410888

SCHEMBL4410888

CO[C@H]1CCN(C(=O)c2ccc(Nc3nccc(-c4cnn(C(CC#N)C5CC5)c4)n3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK1 P06493 3/20 0.44
▸ CCNK O75909 3/20 0.44
▸ CDK12 Q9NYV4 3/20 0.44
▸ JAK2 O60674 12/20 0.44
▸ JAK1 P23458 11/20 0.44
▸ JAK3 P52333 11/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ ACVR1 Q04771 1/20 0.41

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
SCHEMBL2358965 1.00 CDK2 (0.47) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL4417942 0.98 CDK2 (0.50) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL2357909 0.98 CDK2 (0.50) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL3709533 0.96 JAK2 (0.45) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL3313952 0.96 CDK2 (0.48) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL2355841 0.94 CDK2 (0.51) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL3712190 0.92 JAK2 (0.46) CDK2CCNE1JAK2JAK1JAK3
SCHEMBL3311179 0.90 CDK2 (0.51) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL4408483 0.90 CDK2 (0.47) CDK2CCNE1CDK1CCNKCDK12
SCHEMBL3306129 0.90 CDK2 (0.47) CDK2CCNE1CDK1CCNKCDK12

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP disclosed
EP-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP disclosed
US-8309718-B2 4-pyrazolyl-N-arylpyrimidin-2-amines and 4-pyrazolyl-N-heteroarylpyrimidin-2-amines as janus kinase inhibitors INCYTE CORPORATION (US) 2012-11-13 — — US disclosed
US-8309718-B2 4-pyrazolyl-N-arylpyrimidin-2-amines and 4-pyrazolyl-N-heteroarylpyrimidin-2-amines as janus kinase inhibitors INCYTE CORPORATION (US) 2012-11-13 — — US disclosed
US-8309718-B2 4-pyrazolyl-N-arylpyrimidin-2-amines and 4-pyrazolyl-N-heteroarylpyrimidin-2-amines as janus kinase inhibitors INCYTE CORPORATION (US) 2012-11-13 — — US disclosed
US-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-12-24 — — US disclosed
US-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-12-24 — — US disclosed
US-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-12-24 — — US disclosed
WO-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — WO 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-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CDK2 135/4885CCNE1 1514/4885CDK1 157/4885

“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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