SCHEMBL4095600

SCHEMBL4095600

O=C(ONc1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
GRM4 Q14833 1/20 0.41
AURKB Q96GD4 6/20 0.37
AURKA O14965 5/20 0.37
JAK1 P23458 2/20 0.37
INCENP Q9NQS7 2/20 0.37
TPX2 Q9ULW0 1/20 0.37
MET P08581 5/20 0.36
CIT O14578 4/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 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
SCHEMBL4099697 0.89 PRKCI (0.46) PRKCIGRM4AURKBAURKAJAK1
SCHEMBL4082709 0.87 PRKCI (0.52) PRKCIGRM4AURKBAURKAJAK1
Trifluoroacetic Acid SCHEMBL4082707 0.83 PRKCI (0.52) PRKCIGRM4AURKBAURKAJAK1
Trifluoroacetic Acid SCHEMBL4082067 0.83 PRKCI (0.54) PRKCIGRM4AURKBAURKAJAK1
Trifluoroacetic Acid SCHEMBL4095594 0.82 PRKCI (0.51) PRKCIGRM4AURKBAURKAJAK1
Trifluoroacetic Acid SCHEMBL4099614 0.82 PRKCI (0.48) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL4086496 0.80 PRKCI (0.48) PRKCIGRM4AURKBAURKAJAK1
Trifluoroacetic Acid SCHEMBL4086835 0.80 PRKCI (0.48) PRKCIGRM4AURKBAURKAJAK1
Trifluoroacetic Acid SCHEMBL4087921 0.79 PRKCI (0.47) PRKCIGRM4AURKBAURKAJAK1
SCHEMBL16673739 0.79 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP

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 2958/4885AURKB 198/4885
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 2958/4885AURKB 198/4885

“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.