SCHEMBL2104994

SCHEMBL2104994

NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.70
JAK2 O60674 15/20 0.70
JAK1 P23458 11/20 0.67
TYK2 P29597 1/20 0.62
KCNH2 Q12809 1/20 0.56

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
SCHEMBL22613346 1.00 JAK3 (0.70) JAK3JAK2JAK1TYK2KCNH2
SCHEMBL22613231 0.91 JAK3 (0.59) JAK3JAK2JAK1TYK2
SCHEMBL22613227 0.91 JAK3 (0.59) JAK3JAK2JAK1TYK2
SCHEMBL28655131 0.91 JAK3 (0.59) JAK3JAK2JAK1TYK2
SCHEMBL22613270 0.90 JAK3 (0.60) JAK3JAK2JAK1TYK2
SCHEMBL22613274 0.90 JAK3 (0.60) JAK3JAK2JAK1TYK2
SCHEMBL29972143 0.89 JAK3 (0.72) JAK3JAK2JAK1TYK2
SCHEMBL22613345 0.88 JAK3 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL22613348 0.88 JAK3 (0.58) JAK3JAK2JAK1TYK2
SCHEMBL22613309 0.87 JAK3 (0.54) JAK3JAK2JAK1TYK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727975-A Substituted pyrrolopyridines as JAK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-11-30 CN disclosed
WO-2020223728-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-11-05 WO disclosed
US-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-11-05 US disclosed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US 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-20200347053-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 1/4885
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885JAK1 3/4885

“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.