SCHEMBL20183430

SCHEMBL20183430

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 1.00
JAK1 P23458 17/20 1.00
JAK3 P52333 10/20 1.00
TYK2 P29597 6/20 1.00
KCNH2 Q12809 1/20 1.00
ROCK2 O75116 3/20 0.78
PRKCD Q05655 3/20 0.78
STK3 Q13188 3/20 0.78
ROCK1 Q13464 3/20 0.78
CAMK2D Q13557 3/20 0.78
PKN2 Q16513 3/20 0.78
LRRK2 Q5S007 3/20 0.78
MARK3 P27448 2/20 0.78
MARK2 Q7KZI7 2/20 0.78
DCLK1 O15075 2/20 0.78
ABL1 P00519 2/20 0.78
LCK P06239 2/20 0.78
FYN P06241 2/20 0.78
RET P07949 2/20 0.78
DMPK Q09013 2/20 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
SCHEMBL20183423 1.00 JAK2 (1.00) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL18581919 1.00 JAK2 (1.00) JAK2JAK1JAK3TYK2KCNH2
Hydrochloric Acid SCHEMBL20183449 0.99 JAK2 (0.98) JAK2JAK1JAK3TYK2KCNH2
Hydrochloric Acid SCHEMBL20183441 0.99 JAK2 (0.98) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL20183359 0.95 JAK1 (0.91) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL20183356 0.95 JAK1 (0.91) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL20183339 0.94 JAK2 (0.89) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL15077539 0.90 JAK1 (1.00) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL20343665 0.90 JAK1 (1.00) JAK2JAK1JAK3TYK2KCNH2
SCHEMBL20343458 0.90 JAK1 (1.00) JAK2JAK1JAK3TYK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN claimed
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 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF 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.