SCHEMBL4082709

SCHEMBL4082709

O=C(Oc1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
GRM4 Q14833 1/20 0.43
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
JAK1 P23458 3/20 0.39
MET P08581 8/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
JAK2 O60674 2/20 0.36
PBK Q96KB5 1/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNNI3K Q59H18 1/20 0.36

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
SCHEMBL4086496 0.88 PRKCI (0.48) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4099614 0.88 PRKCI (0.48) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4082707 0.88 PRKCI (0.52) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL4095600 0.87 PRKCI (0.49) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4082067 0.85 PRKCI (0.54) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4095594 0.84 PRKCI (0.51) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4094741 0.84 PRKCI (0.44) PRKCIGRM4AURKAAURKBJAK1
SCHEMBL99830 0.83 PRKCI (0.62) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL103041 0.82 PRKCI (0.58) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL29540955 0.82 PRKCI (0.58) PRKCIGRM4AURKAAURKBINCENP

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 304/4885GRM4 2958/4885AURKA 485/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885AURKA 485/4885

“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.