SCHEMBL4095384

SCHEMBL4095384

COc1ccccc1-n1cc(-c2ccnc3c2ccn3OC(=O)C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 0.41
DYRK1B Q9Y463 1/20 0.40
KCNH2 Q12809 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NMT1 P30419 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CREBBP Q92793 1/20 0.35
HTR2B P41595 1/20 0.35
MTNR1A P48039 1/20 0.35
SLC2A1 P11166 1/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A3 P11169 1/20 0.34
HCRTR2 O43614 1/20 0.33

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) GRM4DYRK1BKCNH2HTR2BMTNR1A
SCHEMBL4082704 0.87 GRM4 (0.42) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4088864 0.87 GRM4 (0.42) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4092722 0.85 GRM4 (0.51) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4087603 0.82 GRM4 (0.36) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4082428 0.82 ABL1 (0.37) GRM4KCNH2HCRTR2
SCHEMBL4093448 0.80 GRM4 (0.36) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4088815 0.80 GRM4 (0.40) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4082073 0.80 GRM4 (0.34) GRM4DYRK1BKCNH2CREBBPHTR2B
SCHEMBL4092731 0.79 GRM4 (0.43) GRM4

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 2958/4885DYRK1B 70/4885KCNH2 3465/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885DYRK1B 70/4885KCNH2 3465/4885

“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.