SCHEMBL6181785

SCHEMBL6181785

CC(CCNC(=O)c1ccc(Nc2nc(CN3CCNCC3)cs2)cc1)CC(=O)NCC#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.38
JAK3 P52333 7/20 0.38
CTSK P43235 2/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CYP2D6 P10635 1/20 0.36
ADORA2A P29274 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LMNA P02545 1/20 0.35
CHRM3 P20309 1/20 0.34
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 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
SCHEMBL7601395 0.91 JAK2 (0.46) JAK2JAK3CTSLCTSBCTSS
SCHEMBL6181779 0.81 CTSK (0.58) CTSKCTSLCTSBCTSS
SCHEMBL6183920 0.78 NPC1 (0.45) GAANPC1ALDH1A1MAPTRAB9A
SCHEMBL6182910 0.76 CTSL (0.41) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL6181116 0.76 CTSB (0.55) CTSKCTSLCTSBCTSSMAPT
SCHEMBL7485761 0.75 SRC (0.44) GAANPC1ALDH1A1MAPTNFKB1
SCHEMBL6183060 0.74 CTSB (0.40) CTSKCTSLCTSBCTSSCYP2D6
SCHEMBL7044811 0.73 CTSL (0.45) CTSKCTSLCTSBCTSSGAA
SCHEMBL6182218 0.72 CTSL (0.50) JAK2JAK3CTSKCTSLCTSB
SCHEMBL7452326 0.71 SMN1; SMN2 (0.42) CTSKCTSLCTSBCTSSNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 JAK2 3679/4885JAK3 3091/4885CTSK 32/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 JAK2 3679/4885JAK3 3091/4885CTSK 32/4885

“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.