SCHEMBL3302011

SCHEMBL3302011

COc1cc(-c2nn[nH]c2-c2cccnc2)cc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
AHR P35869 1/20 0.43
HSD17B10 Q99714 1/20 0.41
CHEK1 O14757 2/20 0.40
PDGFRB P09619 2/20 0.39
SYK P43405 1/20 0.38
ABCB1 P08183 2/20 0.38
PTGER2 P43116 1/20 0.38
NPC1 O15118 2/20 0.37

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
Hydrochloric Acid SCHEMBL408545 0.99 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL411263 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL411973 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL10189759 0.86 LMNA (0.37) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL414162 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL31237366 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL3304242 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL10241235 0.81 MAPK1 (0.61) ALDH1A1KDM4EHPGDHTTMAPK1
SCHEMBL3303706 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL410842 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 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 (3 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KDM4E 2492/4885MAPT 95/4885
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 ALDH1A1 1872/4885KDM4E 2492/4885MAPT 95/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK ALDH1A1 414/4885KDM4E 3414/4885MAPT 4120/4885

“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.