SCHEMBL2256958

SCHEMBL2256958

COc1ccc(CNc2nc(NN)nc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.73
SLC2A1 P11166 1/20 0.72
RAD52 P43351 1/20 0.62
POLB P06746 2/20 0.62
EGFR P00533 1/20 0.62
NR2F2 P24468 1/20 0.62
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
UBE2N P61088 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RCE1 Q9Y256 1/20 0.60
ACHE P22303 7/20 0.60
BCHE P06276 6/20 0.60
USP1 O94782 1/20 0.58
WDR48 Q8TAF3 1/20 0.58
NCF1 P14598 1/20 0.58

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
SCHEMBL2586993 0.91 SLC2A1 (0.81) APPSLC2A1RAD52POLBEGFR
SCHEMBL2255109 0.91 SLC2A1 (0.81) APPSLC2A1RAD52POLBEGFR
Hydrochloric Acid SCHEMBL3640013 0.90 SLC2A1 (0.80) APPSLC2A1RAD52POLBEGFR
SCHEMBL3117720 0.89 BCHE (0.78) APPSLC2A1RAD52POLBEGFR
SCHEMBL30092962 0.85 BCHE (0.79) APPSLC2A1RAD52POLBEGFR
SCHEMBL21567314 0.85 BCHE (0.79) APPSLC2A1RAD52POLBEGFR
SCHEMBL2256525 0.85 APP (1.00) APPSLC2A1POLBEGFRNR2F2
SCHEMBL12175852 0.84 SLC2A1 (1.00) APPSLC2A1RAD52LMNAKDM4E
SCHEMBL2258640 0.83 ACHE (0.80) APPSLC2A1RAD52POLBEGFR
SCHEMBL2817787 0.83 APP (0.74) APPSLC2A1RAD52POLBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 US claimed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 US claimed
EP-1833482-A2 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP claimed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO claimed
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 US disclosed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 US disclosed
EP-1833482-A2 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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 (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-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885RAD52 3459/4885

“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.