SCHEMBL21723787

SCHEMBL21723787

CC(C)n1cncc1-c1cccc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
IDH1 O75874 5/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 1/20 0.35
LARS1 Q9P2J5 1/20 0.34
PDPK1 O15530 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
IDO1 P14902 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
BRS3 P32247 1/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32

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
Hydrochloric Acid SCHEMBL21724146 0.98 MAP3K5 (0.43) MAP3K5CYP3A4CYP2C9KCNH2ASIC3
Hydrochloric Acid SCHEMBL21724144 0.97 MAP3K5 (0.43) MAP3K5CYP3A4CYP2C9KCNH2ASIC3
SCHEMBL5109260 0.77 MAPK14 (0.49) IDH1
SCHEMBL20557114 0.75 ASIC3 (0.40) MAP3K5ASIC3IDH1NOS3NOS1
SCHEMBL30433764 0.75 ASIC3 (0.40) MAP3K5ASIC3IDH1NOS3NOS1
SCHEMBL29506348 0.72 MAP3K5 (0.56) MAP3K5
SCHEMBL15136088 0.72 MAP3K5 (0.56) MAP3K5
SCHEMBL944561 0.71 HSP90AA1 (0.41) ASIC3IDH1NOS3NOS1NOS2
SCHEMBL17601485 0.71 IDH1 (0.48) MAP3K5CYP3A4CYP2C9KCNH2IDH1
SCHEMBL29265520 0.70 ASIC3 (0.41) CYP3A4CYP2C9ASIC3IDH1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999715-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2024-06-04 US disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 EP disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 EP disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 US disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 US disclosed
CN-113227070-A ASK1 inhibitors 比奥根MA公司 2021-08-06 CN disclosed
EP-3837251-A1 ASK1 INHIBITING AGENTS Biogen MA Inc. (US) 2021-06-23 EP disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 WO disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 MAP3K5 10/4885CYP3A4 3332/4885CYP2C9 3994/4885
US-11999715-B2 ASK1 inhibiting agents MAP3K1, MAP3K6, MAP3K10 MAP3K5 10/4885CYP3A4 3332/4885CYP2C9 3994/4885

“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.