SCHEMBL20183413

SCHEMBL20183413

c1ccc(CN2CC3[C@@H](CCCN3c3ncnc4[nH]ccc34)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.62
JAK3 P52333 16/20 0.61
JAK1 P23458 4/20 0.61
DOT1L Q8TEK3 1/20 0.50
JAK2 O60674 2/20 0.48
TYK2 P29597 1/20 0.48
BTK Q06187 2/20 0.47

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
SCHEMBL20183306 1.00 ADK (0.62) ADKJAK3JAK1DOT1LJAK2
SCHEMBL20183343 1.00 ADK (0.62) ADKJAK3JAK1DOT1LJAK2
SCHEMBL16764780 0.75 JAK3 (0.58) JAK3JAK1DOT1LJAK2TYK2
SCHEMBL16765410 0.75 JAK3 (0.58) JAK3JAK1DOT1LJAK2TYK2
SCHEMBL16765408 0.75 JAK3 (0.58) JAK3JAK1DOT1LJAK2TYK2
SCHEMBL16764778 0.75 JAK3 (0.58) JAK3JAK1DOT1LJAK2TYK2
SCHEMBL20183418 0.75 JAK3 (0.70) JAK3JAK1DOT1L
SCHEMBL20183405 0.75 JAK3 (0.70) JAK3JAK1DOT1L
SCHEMBL20125438 0.74 JAK3 (0.95) JAK3JAK1
SCHEMBL15218163 0.73 JAK3 (0.57) JAK3JAK1DOT1LJAK2TYK2

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 3 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 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 ADK 765/4885JAK3 3/4885JAK1 1/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 ADK 464/4885JAK3 3/4885JAK1 1/4885

“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.