SCHEMBL3124116

SCHEMBL3124116

O=c1[nH]cnc2c1nc(SC1=COC(Cc3ccccc3)O1)n2CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
ADORA2B P29275 3/20 0.40
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 4/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 5/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PNP P00491 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 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
SCHEMBL3122642 0.85 ADORA2A (0.53) MAPK1ADORA2AADORA1
SCHEMBL3122666 0.85 ADORA3 (0.37) ADORA3ADORA2BALDH1A1MEN1KMT2A
SCHEMBL3121969 0.81 ADORA2A (0.48) KMT2AMAPK1ADORA2AADORA1
SCHEMBL3124520 0.80 ADORA2A (0.46) MAPK1ADORA2AADORA1
SCHEMBL3111452 0.80 ADORA2A (0.45) MAPK1ADORA2AADORA1
SCHEMBL3119617 0.75 MAPK1 (0.42) KMT2AMAPK1ADORA2AADORA1
SCHEMBL5131902 0.75 HSP90AA1 (0.49) ADORA3ADORA2BMAPK1ADORA2AADORA1
SCHEMBL3124105 0.74 HSP90AA1 (0.43) ADORA3ADORA2BALDH1A1MEN1KMT2A
SCHEMBL5142342 0.74 HSP90AA1 (0.38) ADORA3ADORA2BMAPK1ADORA2AADORA1
SCHEMBL3124080 0.74 HSP90B1 (0.44) MAPK1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US claimed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US claimed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP claimed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US claimed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO claimed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 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 (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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ADORA3 3182/4885ADORA2B 3481/4885ALDH1A1 201/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ADORA3 3182/4885ADORA2B 3481/4885ALDH1A1 201/4885

“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.