SCHEMBL20183405

SCHEMBL20183405

c1nc(N2CCC[C@H]3CNC[C@H]32)c2cc[nH]c2n1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.70
JAK1 P23458 3/20 0.70
DOT1L Q8TEK3 2/20 0.53
AKT2 P31751 2/20 0.51
GSK3B P49841 2/20 0.51
KIT P10721 1/20 0.51
LCK P06239 1/20 0.50
HTR2C P28335 1/20 0.50

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
SCHEMBL20183418 1.00 JAK3 (0.70) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL16764926 0.83 JAK3 (0.73) JAK3JAK1AKT2GSK3BKIT
SCHEMBL16764960 0.83 JAK3 (0.73) JAK3JAK1AKT2GSK3BKIT
SCHEMBL20125438 0.82 JAK3 (0.95) JAK3JAK1AKT2GSK3BKIT
SCHEMBL2024604 0.78 JAK3 (1.00) JAK3JAK1DOT1LAKT2GSK3B
SCHEMBL20582750 0.75 JAK3 (0.60) JAK3JAK1DOT1L
SCHEMBL15208812 0.75 JAK3 (0.56) JAK3JAK1
SCHEMBL20183413 0.75 ADK (0.62) JAK3JAK1DOT1L
SCHEMBL20183343 0.75 ADK (0.62) JAK3JAK1DOT1L
SCHEMBL20183306 0.75 ADK (0.62) JAK3JAK1DOT1L

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 JAK3 3/4885JAK1 1/4885DOT1L 1558/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 JAK3 3/4885JAK1 1/4885DOT1L 2023/4885

“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.