SCHEMBL6182002

SCHEMBL6182002

CC(CCC(=O)NCC#N)CNC(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP19A1 P11511 5/20 0.45
AXL P30530 1/20 0.45
PBRM1 Q86U86 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
ADRB3 P13945 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6184482 0.87 RAB9A (0.51) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7439244 0.86 MAPT (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7060328 0.82 RAB9A (0.47) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6184479 0.80 CTSB (0.62) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6179951 0.78 RAB9A (0.51) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6181999 0.78 RAB9A (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6179948 0.77 CTSL (0.55) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6183464 0.77 NPC1 (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6183518 0.75 RAB9A (0.46) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6185260 0.73 NPC1 (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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 6 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-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
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 RAB9A 2240/4885MEN1 3977/4885KMT2A 2983/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 RAB9A 2240/4885MEN1 3977/4885KMT2A 2983/4885

“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.