SCHEMBL20183356

SCHEMBL20183356

CN(c1ncnc2[nH]ccc12)[C@@H]1CCCN(C(=O)CC#N)C1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.91
JAK2 O60674 13/20 0.91
JAK3 P52333 10/20 0.91
TYK2 P29597 5/20 0.91
KCNH2 Q12809 1/20 0.91
ROCK2 O75116 2/20 0.74
MARK3 P27448 2/20 0.74
PRKCD Q05655 2/20 0.74
STK3 Q13188 2/20 0.74
ROCK1 Q13464 2/20 0.74
CAMK2D Q13557 2/20 0.74
PKN2 Q16513 2/20 0.74
LRRK2 Q5S007 2/20 0.74
MARK2 Q7KZI7 2/20 0.74
MAP4K3 Q8IVH8 1/20 0.74
MAP4K5 Q9Y4K4 1/20 0.74
DCLK1 O15075 1/20 0.74
ABL1 P00519 1/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.74

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
SCHEMBL20183359 1.00 JAK1 (0.91) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL18581919 0.95 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183423 0.95 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183430 0.95 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
Hydrochloric Acid SCHEMBL20183441 0.94 JAK2 (0.98) JAK1JAK2JAK3TYK2KCNH2
Hydrochloric Acid SCHEMBL20183449 0.94 JAK2 (0.98) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183339 0.89 JAK2 (0.89) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL13496003 0.88 JAK1 (0.71) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL25703953 0.88 JAK3 (0.91) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20343665 0.87 JAK1 (1.00) JAK1JAK2JAK3TYK2KCNH2

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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US claimed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US claimed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP claimed
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP 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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 3/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK1 1/4885JAK2 2/4885JAK3 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.