SCHEMBL21757053

SCHEMBL21757053

CC1CCC2(CC1)CCN(C(=O)CC(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
NAMPT P43490 1/20 0.39
EPHX2 P34913 1/20 0.37
USP2 O75604 3/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL21757037 0.91 JAK2 (0.45) JAK2JAK1TYK2ALDH1A1NPC1
SCHEMBL21756989 0.86 JAK1 (0.42) JAK2JAK1TYK2ALDH1A1NPC1
SCHEMBL12385899 0.83 ALDH1A1 (0.58) ALDH1A1NPC1EPHX2
SCHEMBL23584409 0.80 HSD11B1 (0.42) JAK2JAK1TYK2ALDH1A1EPHX2
SCHEMBL21757052 0.75 JAK1 (0.43) JAK2JAK1TYK2ALDH1A1NPC1
SCHEMBL27253737 0.74 USP2 (0.49) ALDH1A1EPHX2USP2CYP1A2CYP2C19
SCHEMBL17176072 0.71 PIK3R1 (0.39) JAK2JAK1TYK2ALDH1A1NAMPT
SCHEMBL15014464 0.71 ALDH1A1 (0.63) ALDH1A1NPC1EPHX2
SCHEMBL12424441 0.70 EPHX2 (0.43) ALDH1A1NPC1EPHX2ITGB3ITGA2B
SCHEMBL12384790 0.70 CYP2D6 (0.46) JAK2JAK1TYK2ALDH1A1NPC1

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 7 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
US-9403829-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-02 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 (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 JAK2 2/4885JAK1 1/4885TYK2 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.