SCHEMBL4082428

SCHEMBL4082428

Cc1ccc(C)c(-n2cc(-c3ccnc4c3ccn4OC(=O)C(F)(F)F)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.37
BCR P11274 9/20 0.37
MET P08581 1/20 0.36
GRM4 Q14833 8/20 0.35
JAK2 O60674 1/20 0.35
KCNH2 Q12809 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL4098786 0.89 GRM4 (0.42) ABL1BCRGRM4KCNH2
SCHEMBL4088815 0.86 GRM4 (0.40) GRM4KCNH2
SCHEMBL4087603 0.84 GRM4 (0.36) GRM4KCNH2
SCHEMBL4087912 0.83 MAPK1 (0.35) GRM4KCNH2
SCHEMBL4095384 0.82 GRM4 (0.41) GRM4KCNH2HCRTR2
SCHEMBL4082704 0.81 GRM4 (0.42) GRM4KCNH2
SCHEMBL4088864 0.81 GRM4 (0.42) METGRM4KCNH2
SCHEMBL4092722 0.81 GRM4 (0.51) GRM4KCNH2
SCHEMBL4092731 0.80 GRM4 (0.43) ABL1BCRGRM4
SCHEMBL4093448 0.79 GRM4 (0.36) GRM4JAK2KCNH2

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 ABL1 48/4885BCR 667/4885MET 1680/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ABL1 48/4885BCR 667/4885MET 1680/4885

“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.