SCHEMBL19683014

SCHEMBL19683014

CN(CC1CCCNC1)c1ccnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.53
JAK3 P52333 8/20 0.53
JAK2 O60674 7/20 0.53
PRKCI P41743 1/20 0.40
PBK Q96KB5 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CDC42BPB Q9Y5S2 2/20 0.38
TYK2 P29597 3/20 0.37
MAP2K1 Q02750 1/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
SYK P43405 2/20 0.36
KCNH2 Q12809 2/20 0.36
AURKB Q96GD4 2/20 0.36

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
SCHEMBL10062080 0.80 JAK1 (0.74) JAK1JAK3JAK2PRKCITYK2
Hydrochloric Acid SCHEMBL353625 0.79 JAK1 (0.73) JAK1JAK3JAK2PRKCITYK2
SCHEMBL15390126 0.72 JAK1 (0.56) JAK1JAK3JAK2ROCK2ROCK1
SCHEMBL352184 0.71 JAK3 (0.58) JAK1JAK3JAK2PRKCIROCK2
SCHEMBL10062093 0.71 JAK3 (0.58) JAK1JAK3JAK2PRKCIROCK2
SCHEMBL18559351 0.70 JAK1 (0.48) JAK1JAK3JAK2PBKTYK2
SCHEMBL10062197 0.70 JAK1 (0.48) JAK1JAK3JAK2PBKTYK2
SCHEMBL27891592 0.70 JAK1 (0.86) JAK1JAK3JAK2PRKCITYK2
SCHEMBL2104761 0.70 JAK3 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL4063065 0.70 JAK2 (0.56) JAK1JAK3JAK2PRKCIROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349579-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-B]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2017-12-07 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 (1 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-20170349579-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2,3-B]PYRIMIDIN-5-YL-AMINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885JAK2 3/4885

“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.