SCHEMBL263943

SCHEMBL263943

CCOC(=O)c1sc2nc[nH]c(=O)c2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
LMNA P02545 2/20 1.00
GAA P10253 2/20 1.00
HTT P42858 1/20 0.77
HPGD P15428 5/20 0.76
ALDH1A1 P00352 2/20 0.70
POLB P06746 1/20 0.70
BCAT2 O15382 5/20 0.68
MAPT P10636 4/20 0.64
TP53 P04637 1/20 0.64
HSD17B10 Q99714 3/20 0.63
PDPK1 O15530 1/20 0.56
BLM P54132 1/20 0.56
THRB P10828 2/20 0.56
RAB9A P51151 1/20 0.55
TSHR P16473 1/20 0.53

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
SCHEMBL265344 0.86 HPGD (1.00) KDM4ELMNAGAAHTTHPGD
SCHEMBL263739 0.81 BCAT2 (1.00) KDM4ELMNAGAAHTTHPGD
SCHEMBL19119395 0.80 BCAT2 (0.76) KDM4ELMNAGAAHTTHPGD
SCHEMBL27273135 0.80 BCAT2 (0.76) KDM4ELMNAGAAHTTHPGD
SCHEMBL4529194 0.79 KDM4E (0.64) KDM4ELMNAGAAHTTHPGD
SCHEMBL23209156 0.78 BCAT2 (0.72) KDM4ELMNAGAAHTTHPGD
SCHEMBL14635195 0.78 KDM4E (0.62) KDM4ELMNAGAAHTTHPGD
SCHEMBL4927869 0.77 KDM4E (0.78) KDM4ELMNAGAAHPGDALDH1A1
SCHEMBL4524089 0.77 MAPT (0.74) KDM4ELMNAGAAHTTHPGD
SCHEMBL23267317 0.77 BCAT2 (0.70) KDM4ELMNAGAAHTTHPGD

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
WO-2015136557-A9 CANCER STEM CELL TARGETING COMPOUNDS GODAVARI BIOREFINERIES LIMITED (IN) 2022-05-27 WO disclosed
US-20180169100-A1 Cancer Stem Cell Targeting Compounds GODAVARI BIOREFINERIES LIMITED (IN) 2018-06-21 US disclosed
US-20170022215-A1 Compounds for Eradicating or Inhibiting Proliferation of Cancer Stem Cells GODAVARI BIOREFINERIES LIMITED (IN) 2017-01-26 US disclosed
EP-3116867-A2 CANCER STEM CELL TARGETING COMPOUNDS Godavari Biorefineries Ltd. (IN) 2017-01-18 EP disclosed
EP-3116882-A2 COMPOUNDS FOR ERADICATING OR INHIBITING PROLIFERATION OF CANCER STEM CELLS Godavari Biorefineries Ltd. (IN) 2017-01-18 EP disclosed
WO-2015136557-A2 CANCER STEM CELL TARGETING COMPOUNDS GODAVARI BIOREFINERIES LIMITED (IN) 2015-09-17 WO disclosed
WO-2015136556-A2 COMPOUNDS FOR ERADICATING OR INHIBITING PROLIFERATION OF CANCER STEM CELLS GODAVARI BIOREFINERIES LIMITED (IN) 2015-09-17 WO disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7642257-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-7419978-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419978-B2 Phenyl-aniline substituted bicyclic compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 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 (4 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-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1G, RYR1 KDM4E 4160/4885LMNA 2366/4885GAA 3277/4885
US-20180169100-A1 Cancer Stem Cell Targeting Compounds MCL1, MKI67, BAX KDM4E 1934/4885LMNA 3132/4885GAA 554/4885
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 KDM4E 494/4885LMNA 1208/4885GAA 3050/4885
US-20170022215-A1 Compounds for Eradicating or Inhibiting Proliferation of Cancer Stem Cells MCL1, MKI67, BCL2 KDM4E 1681/4885LMNA 3311/4885GAA 579/4885

“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.