SCHEMBL6020134

SCHEMBL6020134

CC(C)(Cc1c[nH]c2ccccc12)C(=O)NCC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
NMBR P28336 1/20 0.47
ACE P12821 1/20 0.46
CCKBR P32239 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CTSC P53634 1/20 0.45
MAPT P10636 2/20 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
SCHEMBL6020198 0.89 MEN1 (0.49) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL26903537 0.78 MEN1 (0.55) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL14212015 0.78 GPR84 (0.52) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL6020196 0.76 ALDH1A1 (0.46) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL6021036 0.75 CTSL (0.55) CTSLCTSSCTSKMAPTPOLB
SCHEMBL6019397 0.74 CTSL (0.67) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL6020777 0.74 RIPK1 (0.51) CTSLCTSSCTSK
SCHEMBL27572661 0.73 CCKBR (0.52) MEN1KMT2ANMBRACECCKBR
SCHEMBL9293379 0.73 MEN1 (0.56) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL22879441 0.72 MEN1 (0.58) CTSKMEN1KMT2ACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.