SCHEMBL4098786

SCHEMBL4098786

Cc1ccccc1-n1cc(-c2ccnc3c2ccn3OC(=O)C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 16/20 0.42
KCNH2 Q12809 2/20 0.36
HTR2B P41595 1/20 0.36
MTNR1A P48039 1/20 0.36
DYRK1B Q9Y463 1/20 0.35
ABL1 P00519 3/20 0.34
BCR P11274 3/20 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
SCHEMBL4087603 0.90 GRM4 (0.36) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4095384 0.89 GRM4 (0.41) GRM4KCNH2HTR2BMTNR1ADYRK1B
SCHEMBL4082428 0.89 ABL1 (0.37) GRM4KCNH2ABL1BCR
SCHEMBL4082704 0.89 GRM4 (0.42) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4088864 0.89 GRM4 (0.42) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4092722 0.86 GRM4 (0.51) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4087912 0.84 MAPK1 (0.35) GRM4KCNH2
SCHEMBL4088815 0.84 GRM4 (0.40) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4093448 0.82 GRM4 (0.36) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4082073 0.81 GRM4 (0.34) GRM4KCNH2HTR2BMTNR1ADYRK1B

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 GRM4 2958/4885KCNH2 3465/4885HTR2B 2931/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885KCNH2 3465/4885HTR2B 2931/4885

“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.