SCHEMBL6153945

SCHEMBL6153945

NNC(=S)Nc1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 1.00
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 1/20 0.71
LMNA P02545 2/20 0.57
ALOX12 P18054 2/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.50
GRIK1 P39086 1/20 0.49
GAA P10253 2/20 0.49
TGM2 P21980 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL5442089 0.88 KMT2A (0.89) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL31388373 0.88 KMT2A (0.89) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL16566477 0.83 KMT2A (1.00) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11067809 0.81 MEN1 (0.83) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1621739 0.81 IDO1 (0.68) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6816155 0.81 KMT2A (0.75) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5437433 0.78 IDO1 (1.00) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL7514364 0.78 IDO1 (0.64) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9319543 0.78 IDO1 (1.00) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL29488189 0.78 CYP1A2 (0.68) IDO1MEN1KMT2AALDH1A1ALOX12

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-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed
US-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 US disclosed
US-8513276-B2 Imidazo[1,2-a]pyridine compounds for use in treating cancer ASTEX THERAPEUTICS LIMITED (GB) 2013-08-20 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 WO disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP IDO1 1533/4885MEN1 4329/4885KMT2A 875/4885
US-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB IDO1 3714/4885MEN1 1410/4885KMT2A 2609/4885

“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.