SCHEMBL12250914

SCHEMBL12250914

CCC(CC)(CCC#N)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.54
JAK1 P23458 18/20 0.54
JAK3 P52333 13/20 0.52
RET P07949 3/20 0.52
ROCK1 Q13464 3/20 0.52
TYK2 P29597 3/20 0.52
CIT O14578 2/20 0.52
GAK O14976 2/20 0.52
ROCK2 O75116 2/20 0.52
ULK1 O75385 2/20 0.52
PRKCA P17252 2/20 0.52
PRKACA P17612 2/20 0.52
MARK3 P27448 2/20 0.52
CLK1 P49759 2/20 0.52
MAP3K1 Q13233 2/20 0.52
CAMK2G Q13555 2/20 0.52
CAMK2D Q13557 2/20 0.52
PKN1 Q16512 2/20 0.52
AAK1 Q2M2I8 2/20 0.52
Q6ZSR9 Q6ZSR9 2/20 0.52

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
SCHEMBL98899 0.90 JAK2 (0.56) JAK2JAK1JAK3RETROCK1
SCHEMBL101164 0.89 JAK2 (0.58) JAK2JAK1JAK3RETROCK1
SCHEMBL28049773 0.88 JAK2 (0.53) JAK2JAK1JAK3RETROCK1
SCHEMBL99487 0.82 JAK2 (0.60) JAK2JAK1JAK3RETROCK1
SCHEMBL5197750 0.80 JAK2 (0.51) JAK2JAK1JAK3RETROCK1
SCHEMBL101593 0.77 JAK2 (0.62) JAK2JAK1JAK3RETROCK1
SCHEMBL18602153 0.77 JAK2 (0.54) JAK2JAK1JAK3RETROCK1
SCHEMBL99002 0.76 JAK2 (0.64) JAK2JAK1JAK3RETROCK1
SCHEMBL17219993 0.76 JAK2 (0.72) JAK2JAK1JAK3RETROCK1
SCHEMBL101171 0.75 JAK2 (0.66) JAK2JAK1JAK3RETROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 US disclosed
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 US disclosed
US-8530485-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-10 US disclosed
US-8530485-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-10 US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 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-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885

“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.