SCHEMBL25241997

SCHEMBL25241997

COc1nc(CN)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 11/20 0.46
CD274 Q9NZQ7 3/20 0.35
PDCD1 Q15116 1/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.33
NQO2 P16083 3/20 0.33
OGA O60502 1/20 0.32
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL31017389 1.00 MBOAT4 (0.46) MBOAT4CD274PDCD1PDCD1LG2NQO2
SCHEMBL29130943 0.82 MBOAT4 (0.44) MBOAT4NQO2OGA
SCHEMBL30602400 0.82 MBOAT4 (0.44) MBOAT4NQO2OGA
SCHEMBL1350135 0.81 MBOAT4 (0.43) MBOAT4CD274PDCD1LG2NQO2
SCHEMBL1702823 0.81 MBOAT4 (0.46) MBOAT4NQO2
SCHEMBL2688403 0.78 CD274 (0.34) MBOAT4CD274PDCD1PDCD1LG2LOX
SCHEMBL438335 0.78 KEAP1 (0.37) CD274PDCD1LG2NQO2
SCHEMBL12179579 0.78 MBOAT4 (0.44) MBOAT4CD274PDCD1PDCD1LG2NQO2
SCHEMBL18176098 0.77 KCNH2 (0.42) MBOAT4
SCHEMBL28590474 0.77 MBOAT4 (0.40) MBOAT4NQO2

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
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 US disclosed
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-10-29 US disclosed
EP-4448514-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2024-10-23 EP disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 US disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 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 (3 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-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 MBOAT4 3487/4885CD274 1288/4885PDCD1 934/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 MBOAT4 3487/4885CD274 1288/4885PDCD1 934/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 MBOAT4 3487/4885CD274 1288/4885PDCD1 934/4885

“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.