SCHEMBL6858788

SCHEMBL6858788

N#CN1Cc2cc3ccccc3cc2C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.64
CTSB P07858 2/20 0.64
CTSK P43235 2/20 0.64
USP7 Q93009 8/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TEAD1 P28347 3/20 0.39
TEAD4 Q15561 3/20 0.39
TEAD2 Q15562 3/20 0.39
TEAD3 Q99594 1/20 0.36
NAAA Q02083 3/20 0.36
OPRM1 P35372 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL22061852 0.81 CTSL (0.52) CTSLCTSBCTSKUSP7MEN1
SCHEMBL6859782 0.79 CTSL (1.00) CTSLCTSBCTSKUSP7MEN1
SCHEMBL9705360 0.76 CTSL (0.47) CTSLCTSBCTSKUSP7KMT2A
SCHEMBL6858871 0.75 CTSL (0.47) CTSLCTSBCTSKUSP7TEAD1
SCHEMBL4642766 0.70 HTR3A (0.48) MEN1KMT2AOPRM1
SCHEMBL29854087 0.70 HTR3A (0.48) MEN1KMT2AOPRM1
SCHEMBL2327219 0.68 MAOA (0.52) CTSLCTSBCTSKUSP7MEN1
SCHEMBL30043742 0.68 MAOA (0.52) CTSLCTSBCTSKUSP7MEN1
SCHEMBL819997 0.65 CA1 (0.52) CA1CA2
SCHEMBL1808685 0.65 MEN1 (0.52) MEN1KMT2ACA1CA2

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-20030229226-A1 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2003-12-11 US claimed
US-6835727-B2 Bone disorders; osteoporosis; rheumatic diseases MERCK FROSST CANADA & CO. (CA) 2004-12-28 US disclosed
US-20030229226-A1 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2003-12-11 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-20030229226-A1 Cathepsin cysteine protease inhibitors CTSK, CTSZ, CTSE CTSL 10/4885CTSB 5/4885CTSK 1/4885

“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.