SCHEMBL2312499

SCHEMBL2312499

Cc1ccc(NC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.75
MAPT P10636 6/20 0.75
MEN1 O00255 6/20 0.75
RAB9A P51151 5/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
NPC1 O15118 4/20 0.75
LMNA P02545 2/20 0.75
MAPK1 P28482 2/20 0.75
HPGD P15428 3/20 0.63
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
PPIA P62937 1/20 0.62
TSHR P16473 1/20 0.60
ALDH1A1 P00352 4/20 0.58
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL2312502 1.00 KMT2A (0.75) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL11326938 0.90 KMT2A (0.85) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL7600834 0.88 ALDH1A1 (0.72) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL30483195 0.88 ALDH1A1 (0.72) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL5530308 0.87 KMT2A (0.67) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL1504555 0.86 MEN1 (1.00) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10889357 0.85 KMT2A (0.65) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10005082 0.85 MAPT (0.74) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL29502906 0.85 MAPT (0.74) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL10937894 0.84 RAB9A (0.64) KMT2AMAPTMEN1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2528925-A2 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES Hanmi Science Co., Ltd. (KR) 2012-12-05 EP disclosed
WO-2011093684-A2 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI HOLDINGS CO., LTD. (KR) 2011-08-04 WO disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20090163525-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2009-06-25 US disclosed
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
CN-101415689-A Substituted quinazolines with anti-cancer activity ASTRAZENECA AB (SE) 2009-04-22 CN disclosed
EP-2007736-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY AstraZeneca AB (SE) 2008-12-31 EP disclosed
US-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-11-06 US disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2007113557-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
EP-1828147-A1 QUINOXALINES AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
CN-101001845-A Substituted quinazolones as anti-cancer agents. ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
EP-1789399-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS AstraZeneca AB (SE) 2007-05-30 EP disclosed
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006040568-A1 QUINOXALINES AS B RAF INHIBITORS ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006024834-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 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 (4 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF KMT2A 2503/4885MAPT 4337/4885MEN1 1111/4885
US-20080275022-A1 Substituted Quinazolones as Anti-Cancer Agents BRAF, NRAS, RAF1 KMT2A 2857/4885MAPT 4484/4885MEN1 872/4885
US-20090163525-A1 SUBSTITUTED QUINAZOLINES WITH ANTI-CANCER ACTIVITY BRAF, NRAS, RAF1 KMT2A 2579/4885MAPT 4546/4885MEN1 675/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF KMT2A 1967/4885MAPT 4559/4885MEN1 671/4885

“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.