SCHEMBL5029195

SCHEMBL5029195

CN1CCC(N(C)c2nc(Nc3cccc(F)c3)nc(NC3CCCCCC3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.57
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
CTSB P07858 2/20 0.47
CTSV O60911 2/20 0.43
PLAT P00750 2/20 0.43
CTSH P09668 2/20 0.43
CASP14 P31944 2/20 0.43
CASP6 P55212 2/20 0.43
CTSZ Q9UBR2 2/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
EHMT2 Q96KQ7 1/20 0.42
EHMT1 Q9H9B1 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
SCHEMBL14300170 0.86 IDH2 (0.52) IDH2CTSLCTSSCTSKCTSB
SCHEMBL4837184 0.86 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4829191 0.86 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4840203 0.86 IDH2 (0.49) IDH2CTSLCTSSCTSKCTSB
SCHEMBL4836252 0.85 IDH2 (0.50) IDH2CTSLCTSSCTSKEHMT2
SCHEMBL5038282 0.85 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL4838593 0.85 IDH2 (0.48) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL5031277 0.84 CTSL (0.61) IDH2CTSLCTSSCTSKCTSB
SCHEMBL5032214 0.84 IDH2 (0.52) IDH2CTSSCTSKEHMT2EHMT1
SCHEMBL5030770 0.84 IDH2 (0.47) IDH2CTSSCTSKEHMT2EHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US claimed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 US claimed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
WO-2005103015-A1 TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS REDDY US THERAPEUTICS, INC. (US) 2005-11-03 WO disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 US disclosed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 IDH2 3730/4885CTSL 3954/4885CTSS 3208/4885

“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.