SCHEMBL21724017

SCHEMBL21724017

CCOC(=O)c1cn(-c2cccnc2)nc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
NPSR1 Q6W5P4 3/20 0.54
MAPK1 P28482 2/20 0.54
MAP3K5 Q99683 1/20 0.49
DCTPP1 Q9H773 1/20 0.47
USP2 O75604 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DGAT1 O75907 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL1680448 0.86 NPC1 (0.66) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL4291837 0.86 NPSR1 (0.62) NPC1RAB9ANPSR1MAPK1ATM
SCHEMBL30546579 0.84 NPC1 (0.64) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL16269097 0.84 NPC1 (0.64) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL21724292 0.84 MAPK1 (0.53) NPC1RAB9AMAPK1MAP3K5USP2
SCHEMBL21724070 0.83 MAP3K5 (0.49) NPC1RAB9AMAPK1MAP3K5USP2
SCHEMBL19018205 0.82 NPC1 (0.61) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL24377931 0.81 NPC1 (0.60) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL4299394 0.81 DGAT1 (0.61) NPC1RAB9ANPSR1MAPK1DCTPP1
SCHEMBL24505868 0.81 NPC1 (0.54) NPC1RAB9ANPSR1MAPK1ALDH1A1

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 NPC1 2640/4885RAB9A 2566/4885NPSR1 3724/4885
US-11999715-B2 ASK1 inhibiting agents MAP3K1, MAP3K6, MAP3K10 NPC1 2640/4885RAB9A 2566/4885NPSR1 3724/4885

“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.