SCHEMBL15970475

SCHEMBL15970475

Brc1ccnc2[nH]ccc12.N#Cc1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
PRKCI P41743 2/20 0.45
MAPK10 P53779 1/20 0.39
NEK1 Q96PY6 1/20 0.38
MET P08581 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
JAK3 P52333 1/20 0.35
NUDT1 P36639 1/20 0.35
ADORA2A P29274 1/20 0.35
IDO1 P14902 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35

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
SCHEMBL100042 0.94 GRM5 (0.57) GRM5PRKCIMAPK10NEK1MET
Trifluoroacetic Acid SCHEMBL4082497 0.85 GRM5 (0.48) GRM5PRKCIMAPK10NEK1MET
SCHEMBL99492 0.82 PRKCI (0.43) GRM5PRKCIMETCLK4JAK3
SCHEMBL98624 0.80 MAPK14 (0.47) GRM5HSD17B10
SCHEMBL29540753 0.80 MAPK14 (0.47) GRM5HSD17B10
SCHEMBL29540619 0.78 JAK2 (0.52) PRKCIMETCLK4JAK3NUDT1
SCHEMBL100939 0.78 JAK2 (0.52) PRKCIMETCLK4JAK3NUDT1
SCHEMBL4093226 0.78 GRM5 (0.41) GRM5PRKCIMAPK10NEK1MET
SCHEMBL5134218 0.78 CDC7 (0.44) PRKCICLK4JAK3NUDT1IKBKB
SCHEMBL99592 0.78 PRKCI (0.43) PRKCIMETCLK4JAK3NUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-20140243360-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-08-28 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-20140243360-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 GRM5 2793/4885PRKCI 304/4885MAPK10 641/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM5 2793/4885PRKCI 304/4885MAPK10 641/4885

“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.