SCHEMBL11989904

SCHEMBL11989904

CC(C)(Nc1ncc(C#N)c(-c2c[nH]c3ncccc23)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.53
JAK2 O60674 4/20 0.53
JAK1 P23458 3/20 0.53
PLK4 O00444 1/20 0.53
ROCK2 O75116 1/20 0.53
STK10 O94804 1/20 0.53
ABL1 P00519 1/20 0.53
PRKCB P05771 1/20 0.53
MET P08581 1/20 0.53
TOP2A P11388 1/20 0.53
PRKCA P17252 1/20 0.53
CSNK2A2 P19784 1/20 0.53
MARK3 P27448 1/20 0.53
TYK2 P29597 1/20 0.53
ABL2 P42684 1/20 0.53
CDK9 P50750 1/20 0.53
CDK17 Q00537 1/20 0.53
TOP2B Q02880 1/20 0.53
PRKCD Q05655 1/20 0.53
ROCK1 Q13464 1/20 0.53

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
SCHEMBL14147346 0.87 JAK3 (0.55) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL3503032 0.86 CDK2 (0.42) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL11989909 0.86 JUN (0.42) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL2630369 0.85 JAK3 (0.59) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL2630427 0.81 JAK3 (0.65) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL11989898 0.78 CDK2 (0.41) CDK9CDK1CCNB1FLT3CDK7
SCHEMBL11989896 0.78 CDK2 (0.41) JAK2CDK9CDK1CCNB1FLT3
SCHEMBL11989906 0.77 CDK2 (0.42) CDK9CDK1CCNB1FLT3CDK7
SCHEMBL2630384 0.77 JAK3 (0.81) JAK3JAK2JAK1PLK4ROCK2
SCHEMBL2630421 0.76 JAK3 (0.63) JAK3JAK2JAK1PLK4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962642-B2 5-cyano-4- (pyrrolo [2,3B] pyridine-3-yl) -pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-24 US disclosed
EP-2815750-A1 5-cyano-4-(pyrrolo [2,3b] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-12-24 EP disclosed
EP-2124951-B1 5-CYAN0-4- (PYRROLO[2, 3B]PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2014-05-21 EP disclosed
US-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-8247421-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-21 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 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 (4 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-20140045812-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 JAK3 96/4885JAK2 110/4885JAK1 108/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 JAK3 114/4885JAK2 109/4885JAK1 99/4885
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 JAK3 2289/4885JAK2 1600/4885JAK1 2873/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 JAK3 96/4885JAK2 110/4885JAK1 108/4885

“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.