SCHEMBL21757048

SCHEMBL21757048

CC1CCC2(CC1)CCN(C(=O)CC#N)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.45
JAK2 O60674 11/20 0.45
TYK2 P29597 4/20 0.45
JAK3 P52333 4/20 0.44
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21757052 0.91 JAK1 (0.43) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL21756990 0.89 JAK1 (0.42) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL19159529 0.86 JAK3 (0.47) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL22007006 0.85 JAK1 (0.49) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL23584408 0.81 HSD11B1 (0.50) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL6421780 0.77 ALDH1A1 (0.58) JAK2JAK3ALDH1A1NPC1KDM4E
SCHEMBL21757037 0.77 JAK2 (0.45) JAK1JAK2TYK2OPRM1OPRL1
SCHEMBL21757030 0.76 OPRM1 (0.43) OPRM1OPRL1ALDH1A1MEN1KMT2A
SCHEMBL17177171 0.76 KDM4E (0.41) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL22754610 0.76 JAK1 (0.43) JAK1JAK2TYK2JAK3ALDH1A1

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
EP-4105214-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES Zhuhai United Laboratories Co., Ltd (CN) 2022-12-21 EP disclosed
WO-2022161205-A1 ORAL PREPARATION CONTAINING JAK INHIBITOR OR SALT THEREOF OR CRYSTAL FORM THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2022-08-04 WO disclosed
WO-2021159372-A1 USE OF JAK INHIBITORS IN PREPARATION OF DRUGS FOR TREATING JAK KINASE-RELATED DISEASES 珠海联邦制药股份有限公司 2021-08-19 WO disclosed
EP-3842431-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF Zhuhai United Laboratories Co., Ltd (CN) 2021-06-30 EP disclosed
US-20210155621-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND USE THEREOF ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2021-05-27 US disclosed
WO-2020038457-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND APPLICATION THEREOF 珠海联邦制药股份有限公司 2020-02-27 WO 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 (1 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-20210155621-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIDINE COMPOUND AS JAK INHIBITOR AND USE THEREOF JAK1, JAK2, TYK2 JAK1 1/4885JAK2 2/4885TYK2 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.