SCHEMBL21757002

SCHEMBL21757002

O=C(Nc1nc2cccc(C3CCC4(CC3)CN(C(=O)C3CC3(F)F)C4)n2n1)C1CC1(F)F

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.90
JAK1 P23458 20/20 0.90
TYK2 P29597 20/20 0.90
JAK3 P52333 12/20 0.90
CYP2C19 P33261 3/20 0.79
CYP2C9 P11712 2/20 0.79
CYP1A2 P05177 1/20 0.63

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
SCHEMBL23584394 1.00 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757106 1.00 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757020 1.00 JAK2 (0.90) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757000 0.95 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757090 0.95 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757111 0.95 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757015 0.92 JAK2 (0.83) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757058 0.92 JAK2 (0.83) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757170 0.92 JAK2 (0.83) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL24742739 0.91 JAK2 (0.81) JAK2JAK1TYK2JAK3CYP2C19

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 4 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-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
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.