Sugi Predict

Sugi Predict / Compounds / SCHEMBL21729609

SCHEMBL21729609

SCHEMBL21729609

Cn1ccc2c(-c3cnn([C@H](CC#N)C4CCCC4)c3)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.66
▸ JAK1 P23458 11/20 0.66
▸ JAK3 P52333 5/20 0.66
▸ ABL1 P00519 3/20 0.66
▸ TYK2 P29597 3/20 0.66
▸ DAPK3 O43293 2/20 0.66
▸ PAK4 O96013 2/20 0.66
▸ RET P07949 2/20 0.66
▸ LTK P29376 2/20 0.66
▸ CSNK1A1 P48729 2/20 0.66
▸ CLK2 P49760 2/20 0.66
▸ TNK2 Q07912 2/20 0.66
▸ ROCK1 Q13464 2/20 0.66
▸ DYRK1A Q13627 2/20 0.66
▸ IKBKE Q14164 2/20 0.66
▸ NTRK3 Q16288 2/20 0.66
▸ NTRK2 Q16620 2/20 0.66
▸ LRRK2 Q5S007 2/20 0.66
▸ TAOK1 Q7L7X3 2/20 0.66
▸ CAMK1D Q8IU85 2/20 0.66

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
SCHEMBL21729593 0.90 JAK2 (0.65) JAK2JAK1JAK3ABL1TYK2
SCHEMBL16085076 0.89 JAK2 (0.64) JAK2JAK1JAK3ABL1TYK2
SCHEMBL25603410 0.89 JAK2 (0.64) JAK2JAK1JAK3ABL1TYK2
SCHEMBL20805679 0.89 JAK2 (0.69) JAK2JAK1JAK3ABL1TYK2
SCHEMBL27835856 0.89 JAK2 (0.66) JAK2JAK1JAK3ABL1TYK2
SCHEMBL27200381 0.89 JAK2 (0.66) JAK2JAK1JAK3ABL1TYK2
SCHEMBL26429919 0.89 JAK2 (0.66) JAK2JAK1JAK3ABL1TYK2
SCHEMBL13058236 0.88 JAK2 (0.54) JAK2JAK1JAK3ABL1TYK2
SCHEMBL25566894 0.88 JAK2 (0.66) JAK2JAK1JAK3ABL1TYK2
SCHEMBL24377703 0.87 JAK2 (0.64) JAK2JAK1JAK3ABL1TYK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271982-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 — — US disclosed
WO-2023078021-A1 BCMA MONOCLONAL ANTIBODY AND THE ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 — — WO disclosed
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2022-04-28 — — US disclosed
WO-2020257998-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-12-30 — — WO disclosed
WO-2020034987-A1 PRODRUG CONTAINING GLUCURONIDE DERIVATIVE OF JAK INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 江苏豪森药业集团有限公司 2020-02-20 — — 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 (2 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-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20230271982-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF VIP, SI, PDCD5 JAK2 4173/4885JAK1 2922/4885JAK3 3340/4885

“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.