SCHEMBL4417614

SCHEMBL4417614

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(C(=O)N[C@H]4CCN(Cc5ccccc5)C4)c3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.46
▸ DRD4 P21917 7/20 0.46
▸ HTR2A P28223 1/20 0.42
▸ ABL1 P00519 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ SYK P43405 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
SCHEMBL2357128 1.00 DRD2 (0.46) DRD2DRD4HTR2AABL1GSK3B
SCHEMBL2356976 0.88 CDK2 (0.52) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL2357620 0.87 ABL1 (0.52) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL2358496 0.85 JAK2 (0.51) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL2358444 0.84 ABL1 (0.48) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL2358176 0.83 ABL1 (0.49) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL3310646 0.83 ABL1 (0.47) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL2356194 0.83 JAK1 (0.45) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL3310237 0.83 JAK2 (0.48) ABL1GSK3BJAK2JAK1TYK2
SCHEMBL3316015 0.83 JAK2 (0.48) ABL1GSK3BJAK2JAK1TYK2

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 DRD2 3707/4885DRD4 4183/4885HTR2A 2839/4885

“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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