SCHEMBL6453041

SCHEMBL6453041

COc1cc([N+](=O)[O-])c2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KMT2A Q03164 4/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP19A1 P11511 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL31009352 1.00 LMNA (0.47) LMNAKMT2AMAPK1MAPTMEN1
SCHEMBL18876048 0.79 TSHR (0.47) LMNAKMT2AMAPTMEN1KDM4E
SCHEMBL6445623 0.77 ATM (0.43) LMNAMAPK1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31009379 0.76 HSP90AA1 (0.46) LMNAKMT2AMAPK1MAPTMEN1
SCHEMBL1059436 0.76 GPR35 (0.48) LMNAKMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL31009443 0.76 KIF11 (0.41) LMNAKMT2AMAPK1MAPTMEN1
SCHEMBL29433461 0.74 MAPT (0.42) KMT2AMAPK1MAPTMEN1ALDH1A1
SCHEMBL10044955 0.73 CYP3A4 (0.42) LMNAKMT2AMAPK1MAPTMEN1
SCHEMBL4984623 0.73 MAOA (0.42) LMNAKMT2AMAPK1MAPTMEN1
SCHEMBL28792255 0.73 CYP3A4 (0.47) LMNAKMT2AMAPK1MAPTMEN1

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
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 LMNA 2968/4885KMT2A 1939/4885MAPK1 38/4885
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 LMNA 1099/4885KMT2A 2442/4885MAPK1 594/4885

“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.