SCHEMBL21822145

SCHEMBL21822145

CCOC(=O)c1cc2ccc(C#N)cc2n1Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.51
NOD1 Q9Y239 3/20 0.51
F10 P00742 3/20 0.49
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 5/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 5/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CCR9 P51686 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ELANE P08246 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
SCHEMBL21822452 0.89 NOD2 (0.48) NOD2NOD1F10MAPTTDP1
SCHEMBL21822526 0.85 CCR9 (0.57) TSHRKDM4EHSD17B10ALDH1A1CCR9
SCHEMBL21822412 0.85 NOD2 (0.54) NOD2NOD1F10MAPTTDP1
SCHEMBL21822516 0.84 TDP1 (0.41) MAPTTDP1LMNAKDM4EKMT2A
SCHEMBL21822197 0.84 PLA2G10 (0.48) F10TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL21822247 0.84 NOD2 (0.61) NOD2NOD1F10MAPTTDP1
SCHEMBL25017975 0.83 MAPT (0.43) NOD2NOD1F10MAPTTDP1
SCHEMBL25016055 0.83 SMN1; SMN2 (0.48) F10MAPTTDP1TSHRSMN1; SMN2
SCHEMBL21822106 0.83 NOD2 (0.52) NOD2NOD1F10MAPTTDP1
SCHEMBL21822473 0.82 F10 (0.45) F10TSHRKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 EP disclosed
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 CN disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 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 (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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 NOD2 3293/4885NOD1 3138/4885F10 1548/4885

“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.