SCHEMBL4045748

SCHEMBL4045748

CC(C)CC(NC(=O)Oc1ccc(-c2ccccn2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.51
CTSL P07711 8/20 0.41
CTSS P25774 7/20 0.41
ALDH1A1 P00352 3/20 0.35
CTSB P07858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4046026 0.94 CTSK (0.51) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4045577 0.88 CTSK (0.41) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4050120 0.87 CTSK (0.51) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4046025 0.87 CTSK (0.49) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4049326 0.86 CTSK (0.42) CTSKCTSLCTSSALDH1A1
SCHEMBL4042338 0.85 CTSK (0.43) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4048981 0.85 CTSK (0.43) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4042251 0.85 CTSK (0.50) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4046471 0.85 CTSK (0.47) CTSKCTSLCTSSALDH1A1CTSB
SCHEMBL4045333 0.85 CTSK (0.53) CTSKCTSLCTSSALDH1A1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CTSK 1880/4885CTSL 3762/4885CTSS 3389/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CTSK 2460/4885CTSL 2973/4885CTSS 2896/4885

“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.