SCHEMBL20183456

SCHEMBL20183456

CN(c1ncnc2[nH]ccc12)[C@H]1CNCC1(C)C

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.65
JAK1 P23458 14/20 0.57
JAK2 O60674 9/20 0.56
TYK2 P29597 1/20 0.51

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
SCHEMBL20183367 1.00 JAK3 (0.65) JAK3JAK1JAK2TYK2
SCHEMBL20183373 1.00 JAK3 (0.65) JAK3JAK1JAK2TYK2
SCHEMBL19133450 0.86 JAK1 (0.61) JAK3JAK1JAK2TYK2
SCHEMBL17551631 0.86 JAK1 (0.61) JAK3JAK1JAK2TYK2
SCHEMBL3537658 0.80 JAK3 (0.93) JAK3JAK1JAK2TYK2
SCHEMBL3537623 0.79 JAK3 (0.71) JAK3JAK1JAK2TYK2
SCHEMBL3542089 0.79 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL15077662 0.79 JAK1 (0.60) JAK3JAK1JAK2TYK2
SCHEMBL21448708 0.79 JAK1 (0.60) JAK3JAK1JAK2TYK2
SCHEMBL15077669 0.79 JAK1 (0.60) JAK3JAK1JAK2TYK2

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 JAK3 3/4885JAK1 1/4885JAK2 2/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK3 3/4885JAK1 1/4885JAK2 2/4885

“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.