SCHEMBL4093226

SCHEMBL4093226

N#Cc1cccc(N(C(=O)C(F)(F)F)c2cccc(-c3ccn(-c4ccnc5[nH]ccc45)n3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.41
▸ JAK1 P23458 3/20 0.35
▸ PRKCI P41743 2/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ NEK1 Q96PY6 1/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK2 O60674 3/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ TEK Q02763 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
Trifluoroacetic Acid SCHEMBL4082497 0.87 GRM5 (0.48) GRM5PRKCIMAPK10CRHR1NEK1
SCHEMBL100042 0.83 GRM5 (0.57) GRM5PRKCIMAPK10NEK1JAK3
Trifluoroacetic Acid SCHEMBL4093224 0.80 TEK (0.44) GRM5TEKSYKBRAF
Trifluoroacetic Acid SCHEMBL4081895 0.79 JAK3 (0.37) GRM5JAK1PRKCICRHR1JAK3
SCHEMBL15970475 0.78 GRM5 (0.51) GRM5PRKCIMAPK10NEK1JAK3
SCHEMBL29540753 0.78 MAPK14 (0.47) GRM5ROCK2PRKCATEKBRAF
SCHEMBL98624 0.78 MAPK14 (0.47) GRM5ROCK2PRKCATEKBRAF
Trifluoroacetic Acid SCHEMBL4088295 0.76 PRKCI (0.41) PRKCIJAK3JAK2PRKACAPRKCQ
Trifluoroacetic Acid SCHEMBL4092155 0.76 CAPN1 (0.46) PRKCIROCK2ROCK1METCYP2D6
Trifluoroacetic Acid SCHEMBL4097114 0.75 CTSA (0.36) PRKCIFLT3METCYP2D6CYP2C9

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 GRM5 2793/4885JAK1 2/4885PRKCI 304/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM5 2793/4885JAK1 2/4885PRKCI 304/4885

“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.

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