SCHEMBL20183350

SCHEMBL20183350

CC(C)(C)C1C(COc2ncnc3[nH]ccc23)CCCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.44
JAK1 P23458 6/20 0.41
JAK2 O60674 3/20 0.41
BTK Q06187 4/20 0.41
CYP3A4 P08684 1/20 0.41
TYK2 P29597 2/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL20183473 0.74 ACACB (0.36)
SCHEMBL20183351 0.72 JAK1 (0.55) JAK3JAK1JAK2TYK2
SCHEMBL2104992 0.72 JAK2 (0.63) JAK3JAK1JAK2TYK2
SCHEMBL772147 0.70 HSD17B10 (0.36)
SCHEMBL22613188 0.69 JAK3 (0.57) JAK3JAK1JAK2TYK2
SCHEMBL16823465 0.69 ALDH1A1 (0.40) CYP3A4
SCHEMBL4401417 0.69 ALDH1A1 (0.40) CYP3A4
SCHEMBL15209368 0.69 JAK3 (0.62) JAK3JAK1AKT2
SCHEMBL15207751 0.69 JAK3 (0.62) JAK3JAK1AKT2
SCHEMBL15210144 0.69 JAK3 (0.62) JAK3JAK1AKT2

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 1/4885JAK2 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.