SCHEMBL21757145

SCHEMBL21757145

CC1CCC2(CC1)CN(C(=O)CC(F)F)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.31
NAMPT P43490 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21756989 0.79 JAK1 (0.42) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL17266094 0.78 ALDH1A1 (0.41) ALDH1A1NPC1MEN1KMT2ANAMPT
SCHEMBL27256663 0.78 NPC1 (0.49) ALDH1A1NPC1MEN1KMT2APOLB
SCHEMBL21756990 0.75 JAK1 (0.42) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL23240355 0.74 SMN1; SMN2 (0.45) ALDH1A1NPC1HPGDMAPK1SMN1; SMN2
SCHEMBL15987021 0.73 ALDH1A1 (0.33) ALDH1A1NPC1MEN1KMT2APOLB
SCHEMBL21756991 0.72 CHRM4 (0.40) JAK2JAK1TYK2ALDH1A1NPC1
SCHEMBL25810086 0.72 GRM5 (0.46) ALDH1A1MEN1KMT2AHPGDMGLL
SCHEMBL15987022 0.70 MEN1 (0.37) ALDH1A1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15986907 0.70 CYP2C9 (0.44) ALDH1A1

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 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.