SCHEMBL3309499

SCHEMBL3309499

CN(CC(=O)Nc1cccc(Nc2nccc(-c3cnn(C(CC#N)C4CCCC4)c3)n2)c1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.48
▸ JAK1 P23458 9/20 0.48
▸ JAK2 O60674 9/20 0.48
▸ JAK3 P52333 7/20 0.48
▸ TYK2 P29597 5/20 0.48
▸ STAT3 P40763 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ KDR P35968 1/20 0.48
▸ CCNE1 P24864 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ PDGFRB P09619 5/20 0.44
▸ PDGFRA P16234 5/20 0.44
▸ BCR P11274 5/20 0.44
▸ SRC P12931 3/20 0.44
▸ PRKCA P17252 4/20 0.42
▸ PRKCD Q05655 2/20 0.42
▸ DAPK3 O43293 2/20 0.40
▸ PAK4 O96013 2/20 0.40
▸ RET P07949 2/20 0.40

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
SCHEMBL3311225 0.93 CCNE1 (0.53) ABL1JAK1JAK2JAK3TYK2
SCHEMBL3310920 0.89 JAK2 (0.52) ABL1JAK1JAK2JAK3TYK2
SCHEMBL3311712 0.89 ABL1 (0.49) ABL1JAK1JAK2JAK3TYK2
SCHEMBL17451314 0.88 ABL1 (0.53) ABL1JAK1JAK2JAK3TYK2
SCHEMBL3310338 0.88 CDK2 (0.50) ABL1JAK1JAK2JAK3TYK2
SCHEMBL3310399 0.88 ABL1 (0.51) ABL1JAK1JAK2JAK3TYK2
SCHEMBL2356650 0.87 ABL1 (0.47) ABL1JAK1JAK2JAK3TYK2
SCHEMBL3309501 0.87 ABL1 (0.47) ABL1JAK1JAK2JAK3TYK2
SCHEMBL2357669 0.86 ABL1 (0.49) ABL1JAK1JAK2JAK3TYK2
SCHEMBL2355982 0.86 JAK2 (0.50) ABL1JAK1JAK2JAK3TYK2

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 11 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 claimed
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 claimed
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 claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 — — US disclosed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 — — US disclosed
EP-3042655-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES Incyte Holdings Corporation (US) 2016-07-13 — — 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-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 — — 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-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ABL1 715/4885JAK1 1/4885JAK2 3/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ABL1 77/4885JAK1 1/4885JAK2 3/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ABL1 77/4885JAK1 1/4885JAK2 3/4885
US-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ABL1 29/4885JAK1 1/4885JAK2 2/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ABL1 77/4885JAK1 1/4885JAK2 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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