SCHEMBL2256396

SCHEMBL2256396

CNc1nc(NCc2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.55
TCF7L2 Q9NQB0 2/20 0.55
EGFR P00533 2/20 0.55
PIN1 Q13526 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
IGF1R P08069 1/20 0.49
PDE5A O76074 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SLC2A1 P11166 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
SCHEMBL2260826 0.86 EGFR (0.56) EGFRPIN1KMT2AMEN1MAPT
SCHEMBL3112654 0.84 EGFR (0.54) EGFRPIN1KMT2AMEN1MAPT
SCHEMBL2257872 0.84 EGFR (0.54) CTNNB1TCF7L2EGFRKMT2AMEN1
Hydrochloric Acid SCHEMBL3115929 0.84 EGFR (0.53) EGFRPIN1KMT2AMEN1MAPT
SCHEMBL2258991 0.81 CTNNB1 (0.57) CTNNB1TCF7L2EGFRKMT2AMEN1
SCHEMBL3123194 0.79 KMT2A (0.56) EGFRKMT2AMEN1MAPTCRHBP
SCHEMBL3117720 0.79 BCHE (0.78) CTNNB1TCF7L2EGFRKMT2AMAPT
SCHEMBL7687475 0.78 PIN1 (0.48) PIN1KMT2AMEN1MAPTNPC1
SCHEMBL4171599 0.78 CTNNB1 (0.76) CTNNB1TCF7L2
SCHEMBL4167753 0.78 CTNNB1 (0.58) CTNNB1TCF7L2EGFRKMT2AMEN1

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 CTNNB1 4066/4885TCF7L2 2379/4885EGFR 2915/4885

“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.