SCHEMBL3313243

SCHEMBL3313243

COc1cccc(C(C)NC(=O)c2cccc(Nc3nccc(-c4cnn(C(CC#N)C5CCCC5)c4)n3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 1/20 0.45
▸ GSK3B P49841 3/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ JAK2 O60674 1/20 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
▸ JAK3 P52333 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ ROCK2 O75116 9/20 0.42
▸ ROCK1 Q13464 9/20 0.42
▸ PRKG1 Q13976 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ PRKX P51817 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL4409761 1.00 STK17A (0.45) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2359321 0.88 STK17A (0.48) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2356340 0.87 STK17A (0.46) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2358496 0.86 JAK2 (0.51) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2357620 0.84 ABL1 (0.52) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2358100 0.83 ABL1 (0.44) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2358444 0.83 ABL1 (0.48) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2355982 0.83 JAK2 (0.50) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL2356976 0.82 CDK2 (0.52) STK17AGSK3BJAK1JAK2ABL1
SCHEMBL3310399 0.82 ABL1 (0.51) STK17AGSK3BJAK1JAK2ABL1

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
EP-2220068-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2010-08-25 — — EP 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
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 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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 — — US 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-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 — — 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 (6 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 STK17A 26/4885GSK3B 1142/4885JAK1 1/4885
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 STK17A 111/4885GSK3B 377/4885JAK1 1/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 STK17A 3111/4885GSK3B 1181/4885JAK1 4796/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 STK17A 111/4885GSK3B 377/4885JAK1 1/4885
US-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 STK17A 71/4885GSK3B 1278/4885JAK1 1/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 STK17A 111/4885GSK3B 377/4885JAK1 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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