SCHEMBL23153441

SCHEMBL23153441

CNC(=N)NC1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 0.39
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 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
SCHEMBL20445357 1.00 SMYD3 (0.39) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL7886607 0.89
SCHEMBL26044995 0.88 SMYD3 (0.30) SMYD3
SCHEMBL4269720 0.80 SMYD3 (0.36) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL26181536 0.80
SCHEMBL24340204 0.80 EPHX2 (0.48) F2ST14
SCHEMBL4269726 0.80 SMYD3 (0.36) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL14595306 0.80 EPHX2 (0.48) F2ST14
SCHEMBL4103966 0.79 SIGMAR1 (0.43)
SCHEMBL26044029 0.79

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-10960003-B2 Pyrazole pyrimidine derivative and uses thereof BIOTHERYX, INC. (US) 2021-03-30 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-10960003-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 SMYD3 3792/4885F2 4315/4885PRSS1 771/4885

“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.