SCHEMBL21242553

SCHEMBL21242553

O=C(Nc1nc2cccc(C3CCC(NC(=O)C4(F)CC4)CC3)n2n1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 1.00
JAK1 P23458 20/20 1.00
TYK2 P29597 20/20 1.00
JAK3 P52333 12/20 1.00
CYP2C19 P33261 3/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2C9 P11712 2/20 0.60

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
SCHEMBL21242563 0.86 JAK1 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21242564 0.86 JAK1 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21242552 0.86 JAK1 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL23080443 0.86 JAK1 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757054 0.82 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21242963 0.80 JAK1 (0.67) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21242583 0.80 JAK1 (0.66) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757169 0.78 JAK2 (0.71) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757103 0.77 JAK2 (0.70) JAK2JAK1TYK2JAK3CYP2C19
SCHEMBL21757111 0.76 JAK2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070754-A1 JAK INHIBITOR AND USE THEREOF ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2021-03-11 US disclosed
WO-2019149244-A1 JAK INHIBITOR AND USE THEREOF 南京明德新药研发股份有限公司 2019-08-08 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-20210070754-A1 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.