SCHEMBL4082704

SCHEMBL4082704

O=C(On1ccc2c(-c3cnn(-c4ccccc4Cl)c3)ccnc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 18/20 0.42
KCNH2 Q12809 2/20 0.36
HTR2B P41595 1/20 0.36
MTNR1A P48039 1/20 0.36
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 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
SCHEMBL4093448 0.90 GRM4 (0.36) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4088864 0.89 GRM4 (0.42) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4098786 0.89 GRM4 (0.42) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4092731 0.87 GRM4 (0.43) GRM4CDK1CCNB1CDK2
SCHEMBL4095384 0.87 GRM4 (0.41) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4092722 0.86 GRM4 (0.51) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4097360 0.83 GRM4 (0.40) GRM4CDK1CCNB1CDK2
SCHEMBL4096356 0.83 ALDH1A1 (0.38) GRM4
SCHEMBL4087603 0.82 GRM4 (0.36) GRM4KCNH2HTR2BMTNR1A
SCHEMBL4082428 0.81 ABL1 (0.37) GRM4KCNH2

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.