SCHEMBL20472009

SCHEMBL20472009

C=CCn1cnnc1-c1cccc(N)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAP4K1 Q92918 14/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL20803015 0.86 MAP4K1 (0.36) ASIC3MAP4K1
SCHEMBL20803024 0.84 MAP4K1 (0.35) ASIC3MAP4K1MAP3K5
SCHEMBL21737827 0.81 MAP4K1 (0.47) MAP4K1
SCHEMBL20802605 0.80 MAP3K5 (0.40) MAP4K1MAP3K5
SCHEMBL21964139 0.78 MAP4K1 (0.48) MAP4K1
SCHEMBL20803415 0.78 ASIC3 (0.38) ASIC3MAP4K1MAP3K5NOS3
SCHEMBL23064347 0.77 MAP4K1 (0.37) ASIC3MAP4K1MAP3K5
SCHEMBL20802870 0.76 MAP4K1 (0.36) ASIC3MAP4K1MAP3K5NOS3
SCHEMBL20802727 0.75 MAP4K1 (0.36) ASIC3MAP4K1MAP3K5
SCHEMBL20472682 0.75 TLR8 (0.47) MAP4K1

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
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 — — US disclosed
US-11034671-B2 Apoptosis signal-regulating kinase inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-15 — — US disclosed
US-20200283404-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-09-10 — — US disclosed
WO-2019051265-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-03-14 — — WO disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 — — 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-20200283404-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF DAPK1, ATF1, BAD ASIC3 4379/4885KDM4E 3408/4885ALDH1A1 3022/4885
US-11034671-B2 Apoptosis signal-regulating kinase inhibitors and uses thereof DAPK1, ATF1, BAD ASIC3 4379/4885KDM4E 3408/4885ALDH1A1 3022/4885
US-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 ASIC3 4492/4885KDM4E 2991/4885ALDH1A1 2232/4885

“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.

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