Sugi Predict

Sugi Predict / Compounds / SCHEMBL11989922

SCHEMBL11989922

SCHEMBL11989922

CCCC(C)Sc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.33
▸ JUN P05412 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ CCNT1 O60563 3/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ HSP90AB1 P08238 3/20 0.32
▸ AR P10275 2/20 0.32
▸ CCNA2 P20248 2/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.30
▸ MAP3K12 Q12852 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CDK1 P06493 1/20 0.30

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
SCHEMBL11989918 0.89 HSP90AB1 (0.36) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL11989921 0.88 CDK2 (0.34) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL14146956 0.86 CCNT1 (0.36) CDK2CCNT1CDK9CCNA2CLK1
SCHEMBL11989908 0.84 HSP90AB1 (0.41) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL11989677 0.84 CDK2 (0.38) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL11989713 0.80 CDK2 (0.39) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL11989725 0.80 CDK2 (0.39) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL15704042 0.80 CDK2 (0.39) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL11989735 0.79 CDK2 (0.40) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL15722335 0.79 CDK2 (0.37) CDK2JUNMAPK8MAPK9MAPK10

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 15 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
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-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 CDK2 16/4885JUN 1982/4885MAPK8 378/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 CDK2 19/4885JUN 1951/4885MAPK8 341/4885
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 CDK2 2357/4885JUN 4632/4885MAPK8 2061/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 CDK2 16/4885JUN 1982/4885MAPK8 378/4885

“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.