SCHEMBL4092018

SCHEMBL4092018

N#CC(OC(=O)C(F)(F)F)C(=O)Nc1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
JAK3 P52333 2/20 0.38
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
MELK Q14680 1/20 0.35
ROCK2 O75116 1/20 0.35
CIT O14578 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL4092166 0.87 PRKCI (0.39) BRAFCYP2D6CYP2C9JAK3KDR
SCHEMBL4088298 0.82 BRAF (0.39) BRAFCYP2D6CYP2C9JAK3KDR
Trifluoroacetic Acid SCHEMBL4092015 0.81 JAK3 (0.44) BRAFCYP2D6CYP2C9JAK3AURKA
SCHEMBL29540587 0.79 JAK3 (0.48) BRAFCYP2D6CYP2C9JAK3MELK
SCHEMBL101336 0.79 JAK3 (0.48) BRAFCYP2D6CYP2C9JAK3MELK
Trifluoroacetic Acid SCHEMBL4093224 0.79 TEK (0.44) BRAFMAPK14
Trifluoroacetic Acid SCHEMBL4082497 0.78 GRM5 (0.48) MET
SCHEMBL98624 0.77 MAPK14 (0.47) BRAFMAPK14ROCK2
SCHEMBL29540753 0.77 MAPK14 (0.47) BRAFMAPK14ROCK2
Trifluoroacetic Acid SCHEMBL4097114 0.76 CTSA (0.36) BRAFCYP2D6CYP2C9KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BRAF 51/4885CYP2D6 1930/4885CYP2C9 2421/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 BRAF 51/4885CYP2D6 1930/4885CYP2C9 2421/4885

“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.