SCHEMBL20183344

SCHEMBL20183344

O=C(CCl)N1CCC(Oc2ncnc3[nH]ccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.59
JAK1 P23458 8/20 0.45
JAK2 O60674 8/20 0.45
EGFR P00533 1/20 0.44
TYK2 P29597 3/20 0.43
PKN2 Q16513 1/20 0.43
AURKB Q96GD4 1/20 0.43
PIK3CD O00329 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL20183290 0.86 JAK3 (0.59) JAK3JAK1JAK2TYK2PKN2
SCHEMBL20183390 0.81 JAK3 (0.57) JAK3JAK1JAK2TYK2PIK3CD
SCHEMBL20183403 0.78 BTK (0.49) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3532381 0.75 JAK3 (1.00) JAK3JAK1JAK2
SCHEMBL18419031 0.74 BTK (0.69)
SCHEMBL20183342 0.74 JAK3 (0.76) JAK3JAK1JAK2TYK2
SCHEMBL1980392 0.73 JAK3 (0.74) JAK3JAK1JAK2
SCHEMBL17546641 0.72 JAK3 (0.68) JAK3JAK1JAK2
SCHEMBL17545929 0.71 BTK (0.71)
SCHEMBL17545928 0.71 BTK (0.71)

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.