SCHEMBL4082086

SCHEMBL4082086

O=C(Oc1ccc(F)cc1-c1ccn(-c2ccnc3[nH]ccc23)n1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.40
KIT P10721 3/20 0.40
KDR P35968 3/20 0.40
FLT3 P36888 3/20 0.40
EGFR P00533 2/20 0.40
PDGFRB P09619 2/20 0.40
PRKCI P41743 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
Trifluoroacetic Acid SCHEMBL4082081 0.85 PRKCI (0.37) METKITKDRFLT3EGFR
SCHEMBL99634 0.82 PRKCI (0.41) PRKCI
Trifluoroacetic Acid SCHEMBL4092178 0.79 MAPK14 (0.41) METKITKDRFLT3EGFR
SCHEMBL100645 0.75 MAPK14 (0.48) KDREGFRPRKCI
SCHEMBL29540558 0.75 MAPK14 (0.48) KDREGFRPRKCI
SCHEMBL4088298 0.75 BRAF (0.39) METKITKDRFLT3PRKCI
Trifluoroacetic Acid SCHEMBL4093205 0.73 AKT1 (0.43) METKITKDRFLT3PRKCI
SCHEMBL27762526 0.72 BRD4 (0.44) KDRPRKCI
Trifluoroacetic Acid SCHEMBL4092614 0.72 MET (0.43) MET
Trifluoroacetic Acid SCHEMBL4092155 0.72 CAPN1 (0.46) METKDRPRKCI

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 MET 1680/4885KIT 1325/4885KDR 546/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MET 1680/4885KIT 1325/4885KDR 546/4885

“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.