SCHEMBL4092731

SCHEMBL4092731

O=C(On1ccc2c(-c3cnn(-c4ccc(C(F)(F)F)cc4Cl)c3)ccnc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.43
NTRK1 P04629 3/20 0.35
GPR119 Q8TDV5 2/20 0.35
ABL1 P00519 3/20 0.33
BCR P11274 3/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CCNA1 P78396 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL4097360 0.89 GRM4 (0.40) GRM4MEN1RAB9AKMT2ACCNB2
SCHEMBL4082704 0.87 GRM4 (0.42) GRM4CDK1CCNB1CDK2
SCHEMBL4093221 0.83 GRM4 (0.35) GRM4MEN1NPC1RAB9AKMT2A
SCHEMBL4093448 0.83 GRM4 (0.36) GRM4
SCHEMBL4088864 0.82 GRM4 (0.42) GRM4
SCHEMBL4082428 0.80 ABL1 (0.37) GRM4ABL1BCR
SCHEMBL4098786 0.80 GRM4 (0.42) GRM4ABL1BCR
SCHEMBL4092507 0.80 CRHR1 (0.34) GRM4CCNA2CDK2GSK3BCCNA1
SCHEMBL4092722 0.80 GRM4 (0.51) GRM4
SCHEMBL4088815 0.79 GRM4 (0.40) 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 2958/4885NTRK1 1809/4885GPR119 4231/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885NTRK1 1809/4885GPR119 4231/4885

“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.