SCHEMBL25015735

SCHEMBL25015735

CC(C)CCn1c(C(=O)N2CCC(F)(F)C2)cc2ccc(C(=N)N)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ F2 P00734 5/20 0.36
▸ F10 P00742 5/20 0.36
▸ PRSS1 P07477 4/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ F7 P08709 1/20 0.33

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
SCHEMBL25017361 0.94 HRH3 (0.40) ROCK2F2F10PRSS1HRH3
SCHEMBL21822113 0.85 F10 (0.42) F2F10PRSS1HRH3ITGB3
SCHEMBL25017372 0.84 F2 (0.41) F2F10PRSS1ITGB3ITGA2B
SCHEMBL25016256 0.84 F10 (0.44) CCNCCDK8F2F10PRSS1
SCHEMBL25016300 0.83 F10 (0.43) CCNCCDK8F2F10PRSS1
SCHEMBL25016298 0.82 NAMPT (0.35) ROCK2ROCK1CCNCCDK8F2
SCHEMBL25017873 0.80 CCR2 (0.43) F2F10PRSS1
SCHEMBL25015874 0.80 F10 (0.56) F2F10
SCHEMBL25016258 0.80 F10 (0.44) CCNCCDK8F2F10PRSS1
SCHEMBL21822321 0.80 F10 (0.42) F2F10PRSS1ITGB3ITGA2B

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 1 patent. 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

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 ROCK2 2827/4885ROCK1 4072/4885CCNC 4666/4885

“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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