SCHEMBL19322611

SCHEMBL19322611

CCn1cnc(C(=O)NCc2ccc(CN)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.64
SMYD3 Q9H7B4 1/20 0.49
MLLT1 Q03111 1/20 0.48
TPSAB1 Q15661 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLK1 P06870 3/20 0.44

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
SCHEMBL17546560 0.84 KLKB1 (0.57) KLKB1MLLT1TPSAB1L3MBTL1KLK1
SCHEMBL17540848 0.81 KLKB1 (0.54) KLKB1MLLT1TPSAB1L3MBTL1KLK1
SCHEMBL15874007 0.79 KLKB1 (1.00) KLKB1KLK1
SCHEMBL18924693 0.76 KLKB1 (0.67) KLKB1MLLT1TPSAB1
SCHEMBL30162870 0.76 SMYD3 (0.57) KLKB1SMYD3
SCHEMBL16566390 0.74 SMYD3 (0.57) KLKB1SMYD3
SCHEMBL17546583 0.73 KLKB1 (0.60) KLKB1MLLT1TPSAB1KLK1
SCHEMBL1829985 0.71 L3MBTL1 (0.51) KLKB1MLLT1L3MBTL1
SCHEMBL2943276 0.70 L3MBTL1 (0.50) KLKB1MLLT1L3MBTL1
SCHEMBL17540851 0.70 KLKB1 (0.56) KLKB1MLLT1TPSAB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 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-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 KLKB1 3/4885SMYD3 1159/4885MLLT1 1699/4885

“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.