SCHEMBL21822503

SCHEMBL21822503

CC1CCC(NC(=O)c2cc3ccc(C(=N)N)cc3n2Cc2ccc(C(=O)NCCN)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ F10 P00742 14/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ F2 P00734 6/20 0.43
▸ PRSS1 P07477 5/20 0.43
▸ PLG P00747 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ST14 Q9Y5Y6 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL21822149 0.94 ITGB3 (0.45) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL21822613 0.94 F2 (0.49) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL21822193 0.93 F10 (0.45) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL21822826 0.91 F10 (0.45) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL25016792 0.91 F10 (0.47) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL25016794 0.91 F10 (0.47) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL21822341 0.88 F10 (0.49) ITGB3ITGA2BF10CNR1CNR2
SCHEMBL25015989 0.83 F2 (0.50) ITGB3ITGA2BF10F2PRSS1
SCHEMBL25017815 0.82 CCR9 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL21822199 0.82 F10 (0.57) ITGB3ITGA2BF10F2PRSS1

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 ITGB3 2374/4885ITGA2B 2429/4885F10 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.

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