SCHEMBL30995752

SCHEMBL30995752

CC(O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1[C@@H]1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.42
JAK2 O60674 5/20 0.42
HTR6 P50406 3/20 0.40
MAOB P27338 1/20 0.40
TYK2 P29597 7/20 0.40
JAK3 P52333 7/20 0.40
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 1/20 0.37

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
SCHEMBL25241529 1.00 JAK1 (0.42) JAK1JAK2HTR6MAOBTYK2
SCHEMBL25699287 1.00 JAK1 (0.42) JAK1JAK2HTR6MAOBTYK2
SCHEMBL2223896 1.00 JAK1 (0.42) JAK1JAK2HTR6MAOBTYK2
SCHEMBL25283735 1.00 JAK1 (0.42) JAK1JAK2HTR6MAOBTYK2
SCHEMBL29460490 1.00 JAK1 (0.42) JAK1JAK2HTR6MAOBTYK2
SCHEMBL2280654 0.95 JAK1 (0.45) JAK1JAK2HTR6MAOBTYK2
SCHEMBL2224738 0.95 JAK1 (0.46) JAK1JAK2HTR6TYK2JAK3
SCHEMBL2273561 0.89 JAK1 (0.43) JAK1JAK2HTR6MAOBTYK2
SCHEMBL2273559 0.89 JAK1 (0.43) JAK1JAK2HTR6MAOBTYK2
SCHEMBL2282946 0.88 JAK1 (0.54) JAK1JAK2TYK2JAK3CYP3A4

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-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION YIYOU BIOTECH (SHANGHAI) CO., LTD. (CN) 2024-11-21 US disclosed
EP-4393923-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION Yiyou Biotech (Shanghai) Co., Ltd. (CN) 2024-07-03 EP 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-20240383898-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION JAK1, WEE1, JAK2 JAK1 1/4885JAK2 3/4885HTR6 2829/4885

“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.