SCHEMBL20183426

SCHEMBL20183426

O=C(CCl)N1CC[C@@H](N(CC2CC2)c2ncnc3[nH]ccc23)C1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.78
JAK2 O60674 14/20 0.78
JAK3 P52333 7/20 0.58
TYK2 P29597 2/20 0.58
KCNH2 Q12809 1/20 0.58
BTK Q06187 3/20 0.52
PKN2 Q16513 1/20 0.52
AURKB Q96GD4 1/20 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
SCHEMBL20183427 1.00 JAK1 (0.78) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183397 0.89 JAK2 (0.78) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183399 0.89 JAK2 (0.78) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183353 0.88 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183349 0.88 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183453 0.78 JAK2 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL20183451 0.78 JAK2 (0.62) JAK1JAK2JAK3TYK2
SCHEMBL20183462 0.77 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL20183461 0.77 JAK2 (1.00) JAK1JAK2JAK3TYK2KCNH2
SCHEMBL21334304 0.76 JAK1 (0.80) 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 4 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 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.