SCHEMBL21822118

SCHEMBL21822118

N=C(N)c1ccc2cc(C(=O)NC3CCN(CCN)CC3)n(CCc3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 7/20 0.55
▸ F10 P00742 6/20 0.50
▸ ST14 Q9Y5Y6 4/20 0.48
▸ F2 P00734 3/20 0.48
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ SLC6A12 P48065 1/20 0.46
▸ SLC6A13 Q9NSD5 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ HPN P05981 1/20 0.45
▸ HGFAC Q04756 1/20 0.45
▸ CXCR3 P49682 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL21822344 0.95 ST14 (0.55) DRD4F10ST14F2PRSS1
SCHEMBL28582131 0.89 DRD4 (0.51) DRD4F10ST14F2SLC6A12
SCHEMBL25017829 0.88 F10 (0.49) DRD4F10ST14F2PRSS1
SCHEMBL21822307 0.85 DRD4 (0.51) DRD4F10ST14F2PRSS1
SCHEMBL25017832 0.82 DRD4 (0.48) DRD4F10ST14F2PRSS1
SCHEMBL25015905 0.80 F10 (0.49) DRD4F10ST14F2PRSS1
SCHEMBL25015685 0.79 ST14 (0.46) F10ST14F2PRSS1PRSS2
SCHEMBL25015884 0.78 KMT2A (0.49) F10ST14F2
SCHEMBL25017880 0.77 F10 (0.51) F10ST14F2PRSS1PRSS2
SCHEMBL21822290 0.77 DRD4 (0.51) DRD4F10ST14F2PRSS1

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 3 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
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 DRD4 4826/4885F10 1548/4885ST14 150/4885

“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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