SCHEMBL4087376

SCHEMBL4087376

CC(c1ccccc1)n1cc(-c2ccnc3c2ccn3OC(=O)C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.45
BRD4 O60885 5/20 0.40
GRM2 Q14416 1/20 0.35
PDK4 Q16654 1/20 0.35
GRM4 Q14833 3/20 0.34
PDK2 Q15119 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
SCHEMBL4088352 0.87 GRM4 (0.34) CREBBPPDK4GRM4PDK2
SCHEMBL4088124 0.87 GRM4 (0.34) CREBBPPDK4GRM4PDK2
SCHEMBL4082204 0.84 ACHE (0.42) GRM4
SCHEMBL4092722 0.83 GRM4 (0.51) GRM4
SCHEMBL4082785 0.80 CREBBP (0.43) CREBBPPDK2
SCHEMBL4087603 0.79 GRM4 (0.36) GRM4
SCHEMBL4095384 0.78 GRM4 (0.41) CREBBPGRM4
SCHEMBL4082704 0.78 GRM4 (0.42) GRM4
SCHEMBL4088864 0.78 GRM4 (0.42) GRM4
SCHEMBL4088815 0.77 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 CREBBP 1203/4885BRD4 96/4885GRM2 1785/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CREBBP 1203/4885BRD4 96/4885GRM2 1785/4885

“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.