SCHEMBL4414332

SCHEMBL4414332

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(NC(=O)O[C@@H]4CCOC4)c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 7/20 0.44
▸ JAK2 O60674 6/20 0.44
▸ JAK3 P52333 6/20 0.44
▸ ABL1 P00519 4/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ STAT3 P40763 2/20 0.44
▸ KDR P35968 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ PDGFRB P09619 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ IKBKE Q14164 10/20 0.42
▸ TBK1 Q9UHD2 10/20 0.42
▸ PRKCA P17252 2/20 0.40
▸ BMPR1B O00238 1/20 0.38
▸ PLK4 O00444 1/20 0.38

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
SCHEMBL2355597 1.00 JAK1 (0.44) JAK1JAK2JAK3ABL1TYK2
SCHEMBL4410398 0.93 CCNE1 (0.49) JAK1JAK2JAK3ABL1TYK2
SCHEMBL2358705 0.93 CCNE1 (0.49) JAK1JAK2JAK3ABL1TYK2
SCHEMBL3310399 0.88 ABL1 (0.51) JAK1JAK2JAK3ABL1TYK2
SCHEMBL17451314 0.86 ABL1 (0.53) JAK1JAK2JAK3ABL1TYK2
SCHEMBL3310920 0.85 JAK2 (0.52) JAK1JAK2JAK3ABL1TYK2
SCHEMBL2357196 0.84 JAK2 (0.50) JAK1JAK2JAK3ABL1TYK2
SCHEMBL17451310 0.82 JAK2 (0.43) JAK1JAK2JAK3ABL1TYK2
SCHEMBL3311712 0.82 ABL1 (0.49) JAK1JAK2JAK3ABL1TYK2
SCHEMBL3309501 0.82 ABL1 (0.47) JAK1JAK2JAK3ABL1TYK2

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 JAK1 1/4885JAK2 2/4885JAK3 3/4885

“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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