SCHEMBL4043434

SCHEMBL4043434

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
CTSS P25774 6/20 0.42
CTSL P07711 4/20 0.42
CTSV O60911 2/20 0.42
HPGDS O60760 1/20 0.39
CHRM4 P08173 1/20 0.37
DRD2 P14416 4/20 0.36
DRD4 P21917 4/20 0.36
HTR2A P28223 1/20 0.36
TACR3 P29371 1/20 0.36
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
HTRA1 Q92743 1/20 0.35
CTSB P07858 1/20 0.33

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
SCHEMBL4042374 0.91 CTSK (0.59) CTSKCTSSCTSLHPGDSCTSB
SCHEMBL4043220 0.91 CTSK (0.48) CTSKCTSSCTSLCTSVHPGDS
SCHEMBL4039075 0.91 CTSK (0.49) CTSKCTSSCTSLHPGDSCHRM4
SCHEMBL4038477 0.88 CTSS (0.40) CTSKCTSSCTSLCTSVHPGDS
SCHEMBL4043653 0.86 CTSK (0.66) CTSKCTSSCTSLCTSVPREP
SCHEMBL4041846 0.86 CTSK (0.42) CTSKCTSSCTSLCTSVHPGDS
SCHEMBL4049935 0.85 CTSK (0.53) CTSKCTSSCTSLCTSVCHRM4
SCHEMBL4041889 0.84 CTSS (0.40) CTSKCTSSCTSLCTSVHPGDS
SCHEMBL4040781 0.82 CTSK (0.42) CTSKCTSSCTSLCTSVHPGDS
SCHEMBL6233659 0.82 CTSK (0.44) CTSKCTSSCTSLCTSVPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
WO-2021236650-A1 CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
US-20180223077-A1 POLYARYLENE FIBER WITH IMPROVED HYDROLYTIC STABILITY TEIJIN ARAMID B.V. (NL) 2018-08-09 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
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-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP 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
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (5 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 1880/4885CTSS 3389/4885CTSL 3762/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CTSK 2460/4885CTSS 2896/4885CTSL 2973/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSL 57/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK CTSK 1671/4885CTSS 3252/4885CTSL 2622/4885
US-20180223077-A1 POLYARYLENE FIBER WITH IMPROVED HYDROLYTIC STABILITY PAH, COMT, DBH CTSK 292/4885CTSS 473/4885CTSL 1076/4885

“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.