SCHEMBL5077837

SCHEMBL5077837

C[C@H](Nc1cc(-c2ccccc2)nc(-c2c[nH]c3ncncc23)n1)C(=O)NCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.40
JAK2 O60674 2/20 0.40
PLK4 O00444 2/20 0.40
ROCK2 O75116 2/20 0.40
ABL1 P00519 2/20 0.40
MARK3 P27448 2/20 0.40
ROCK1 Q13464 2/20 0.40
CAMK2G Q13555 2/20 0.40
CAMK2D Q13557 2/20 0.40
CDC42BPA Q5VT25 2/20 0.40
MARK2 Q7KZI7 2/20 0.40
TAOK1 Q7L7X3 2/20 0.40
SLK Q9H2G2 2/20 0.40
STK10 O94804 1/20 0.40
PRKCB P05771 1/20 0.40
MET P08581 1/20 0.40
TOP2A P11388 1/20 0.40
PRKCA P17252 1/20 0.40
CSNK2A2 P19784 1/20 0.40
JAK1 P23458 1/20 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
SCHEMBL5074726 1.00 JAK3 (0.40) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL14236365 0.90 ADORA1 (0.42) JAK3PLK4ROCK2ABL1MARK3
SCHEMBL5634235 0.87 JAK3 (0.38) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL14236247 0.86 JAK3 (0.39) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL15380990 0.86 JAK3 (0.37) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL5634991 0.85 JAK3 (0.51) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL5074758 0.85 JAK3 (0.51) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL5074742 0.85 JAK3 (0.51) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL15380988 0.84 TBK1 (0.38) JAK3JAK2PLK4ROCK2ABL1
SCHEMBL14236255 0.84 JAK3 (0.36) JAK3JAK2PLK4ROCK2ABL1

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
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-8580802-B2 Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-2532667-A1 Deazapurines useful as inhibitors of janus kinases Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-1931674-B1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMA (US) 2012-12-12 EP disclosed
EP-1931674-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES Vertex Pharmceuticals Incorporated (US) 2008-06-18 EP disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 US disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041130-A2 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-12 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-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885PLK4 642/4885

“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.