SCHEMBL6183207

SCHEMBL6183207

CC(CCNC(=O)c1ccc(-n2ccnc2)cc1)CC(=O)NCC#N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
GFER P55789 1/20 0.47
KMT2A Q03164 2/20 0.47
ADRB1 P08588 4/20 0.47
ADRB2 P07550 3/20 0.47
ADRB3 P13945 3/20 0.47
HTT P42858 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
DRD3 P35462 4/20 0.44
CYP3A4 P08684 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
DRD2 P14416 3/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL6183529 0.86 ALDH1A1 (0.46) TDP1KMT2AMAPT
SCHEMBL6183129 0.85 LRRK2 (0.43) TDP1GFERKMT2AADRB1ADRB2
SCHEMBL7554411 0.83 EPHX2 (0.50) KMT2AMAPTL3MBTL1
SCHEMBL6182588 0.82 DRD2 (0.47) DRD2
SCHEMBL6182428 0.78 CTSB (0.54) KMT2A
SCHEMBL7452326 0.78 SMN1; SMN2 (0.42) KMT2A
SCHEMBL6182799 0.78 LMNA (0.45) KMT2AMAPT
SCHEMBL6183700 0.78 CTSL (0.53) KMT2ACYP3A4MAPT
SCHEMBL7453120 0.77 NAMPT (0.41) HTT
SCHEMBL9369002 0.77 TDP1 (0.52) TDP1GFERKMT2AADRB1ADRB2

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 7 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
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 TDP1 2635/4885GFER 1119/4885KMT2A 2983/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 TDP1 2635/4885GFER 1119/4885KMT2A 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.