SCHEMBL18269204

SCHEMBL18269204

CN1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.78
JAK1 P23458 17/20 0.78
JAK3 P52333 14/20 0.78
CIT O14578 1/20 0.78
GAK O14976 1/20 0.78
ROCK2 O75116 1/20 0.78
ULK1 O75385 1/20 0.78
PRKCB P05771 1/20 0.78
RET P07949 1/20 0.78
PRKCA P17252 1/20 0.78
PRKACA P17612 1/20 0.78
MARK3 P27448 1/20 0.78
TYK2 P29597 1/20 0.78
STAT3 P40763 1/20 0.78
CLK1 P49759 1/20 0.78
CSNK1G2 P78368 1/20 0.78
PRKCD Q05655 1/20 0.78
MAP3K1 Q13233 1/20 0.78
ROCK1 Q13464 1/20 0.78
TNK1 Q13470 1/20 0.78

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
SCHEMBL15218749 0.90 JAK2 (0.78) JAK2JAK1JAK3CITGAK
SCHEMBL18271131 0.90 JAK2 (0.75) JAK2JAK1JAK3CITGAK
SCHEMBL29541207 0.89 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL100609 0.89 JAK2 (0.83) JAK2JAK1JAK3CITGAK
SCHEMBL22730713 0.88 JAK2 (0.70) JAK2JAK1JAK3CITGAK
SCHEMBL22730915 0.88 JAK2 (0.70) JAK2JAK1JAK3CITGAK
SCHEMBL871544 0.88 JAK2 (0.72) JAK2JAK1JAK3CITGAK
SCHEMBL871842 0.88 JAK2 (0.80) JAK2JAK1JAK3CITGAK
SCHEMBL2605490 0.88 JAK2 (0.74) JAK2JAK1JAK3CITGAK
SCHEMBL100359 0.88 JAK2 (0.83) JAK2JAK1JAK3CITGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021053690-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BARICITINIB NATCO PHARMA LIMITED (IN) 2021-03-25 WO disclosed
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
WO-2017082759-A1 {3-[(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-AZOLYL]AZETIDIN-3-YL}-ACETONITRILES AS JANUS KINASE INHIBITORS АКЦИОНЕРНОЕ ОБЩЕСТВО "Р-ФАРМ" (АО "Р-ФАРМ") 2017-05-18 WO disclosed
US-20160347734-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION (US) 2016-12-01 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-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20160347734-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 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.