SCHEMBL4092166

SCHEMBL4092166

N#CC(OC(=O)C(F)(F)F)C(=O)Nc1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
BRAF P15056 11/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
JAK3 P52333 2/20 0.38
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
GRM4 Q14833 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
MELK Q14680 1/20 0.35
CDK8 P49336 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL4092018 0.87 BRAF (0.40) BRAFCYP2D6CYP2C9JAK3KDR
SCHEMBL4099697 0.82 PRKCI (0.46) PRKCIBRAFCYP2D6CYP2C9JAK3
Trifluoroacetic Acid SCHEMBL4092161 0.81 JAK3 (0.43) PRKCIBRAFCYP2D6CYP2C9JAK3
SCHEMBL100093 0.80 JAK3 (0.48) PRKCIBRAFCYP2D6CYP2C9JAK3
SCHEMBL29540508 0.80 JAK3 (0.48) PRKCIBRAFCYP2D6CYP2C9JAK3
SCHEMBL4086496 0.79 PRKCI (0.48) PRKCIBRAFCYP2D6CYP2C9KDR
Trifluoroacetic Acid SCHEMBL4088293 0.78 GRM5 (0.47) PRKCIGRM4
Trifluoroacetic Acid SCHEMBL4082559 0.76 PRKCI (0.43) PRKCIBRAFJAK3GRM4CDK8
Trifluoroacetic Acid SCHEMBL4086493 0.76 PRKCI (0.48) PRKCIBRAFCYP2D6CYP2C9JAK3
Trifluoroacetic Acid SCHEMBL4082067 0.75 PRKCI (0.54) PRKCIJAK3KDRABL1BCR

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 PRKCI 304/4885BRAF 51/4885CYP2D6 1930/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885BRAF 51/4885CYP2D6 1930/4885

“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.