SCHEMBL13595238

SCHEMBL13595238

N#CCC(C1CCCC1)n1cc(-c2ccnc(Nc3cccc(C(=O)N4CCN(c5ccc(N)cc5)CC4)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.43
▸ JAK3 P52333 13/20 0.43
▸ JAK1 P23458 11/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ KDR P35968 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ HDAC1 Q13547 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ SMG1 Q96Q15 1/20 0.41
▸ BCR P11274 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.39

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
SCHEMBL2358049 0.94 JAK2 (0.45) JAK2JAK3JAK1ABL1TYK2
SCHEMBL2357371 0.94 ABL1 (0.43) JAK2JAK3JAK1ABL1TYK2
SCHEMBL2356206 0.91 JAK2 (0.45) JAK2JAK3JAK1ABL1TYK2
SCHEMBL3310237 0.91 JAK2 (0.48) JAK2JAK3JAK1ABL1TYK2
SCHEMBL3316015 0.91 JAK2 (0.48) JAK2JAK3JAK1ABL1TYK2
SCHEMBL3312256 0.89 JAK2 (0.48) JAK2JAK3JAK1ABL1TYK2
SCHEMBL2356221 0.89 CDK2 (0.49) JAK2JAK3JAK1ABL1TYK2
SCHEMBL3309348 0.89 JAK1 (0.49) JAK2JAK3JAK1ABL1TYK2
SCHEMBL2359371 0.89 JAK2 (0.47) JAK2JAK3JAK1ABL1TYK2
SCHEMBL3309310 0.88 ABL1 (0.46) JAK2JAK3JAK1ABL1TYK2

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

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

“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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