SCHEMBL1734718

SCHEMBL1734718

COc1cc2c(=O)nc[nH]c2cc1OCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
RCE1 Q9Y256 1/20 0.53
MAPK1 P28482 3/20 0.53
EGFR P00533 2/20 0.51
KDM1A O60341 1/20 0.50
SRC P12931 7/20 0.49
CHEK1 O14757 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAD52 P43351 1/20 0.48
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
AURKA O14965 2/20 0.47
KDR P35968 2/20 0.47
AXL P30530 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL28431957 1.00 KDM4E (0.53) KDM4ERCE1MAPK1EGFRKDM1A
Hydrochloric Acid SCHEMBL4378498 0.99 KDM4E (0.52) KDM4ERCE1MAPK1EGFRKDM1A
SCHEMBL4373778 0.89 EHMT2 (0.52) KDM4EALDH1A1KDRKMT2A
SCHEMBL4379746 0.87 EHMT2 (0.43) KDM4ERCE1EGFRALDH1A1KDR
SCHEMBL29478513 0.83 KDM1A (0.57) KDM4EEGFRKDM1ASRCAURKA
SCHEMBL29478512 0.83 KDM1A (0.57) KDM4EEGFRKDM1ASRCAURKA
SCHEMBL1734721 0.83 KDM1A (0.57) KDM4EEGFRKDM1ASRCAURKA
SCHEMBL829762 0.83 KDM1A (0.57) KDM4EEGFRKDM1ASRCAURKA
SCHEMBL6433993 0.83 SRC (0.56) KDM4ERCE1MAPK1EGFRKDM1A
Hydrochloric Acid SCHEMBL4378504 0.82 KDM1A (0.56) KDM4EEGFRKDM1ASRCAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
US-8318932-B2 Process for producing 4-aminoquinazoline compound UBE INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
EP-1481971-B1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES (JP) 2011-11-16 EP disclosed
WO-2011131610-A1 HEAT TRANSFER MEDIUM BASED ON SULPHUR AND USE OF THE HEAT TRANSFER MEDIUM SIEMENS AKTIENGESELLSCHAFT (DE) 2011-10-27 WO disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
US-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2009-07-02 US disclosed
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2008-07-24 US disclosed
US-20050130995-A1 Chlorinating quinazolin-4-one in solvent in presence of a base; then reacting with an amine compound UBE INDUSTRIES, LTD. (JP) 2005-06-16 US disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1481971-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND Ube Industries, Ltd. (JP) 2004-12-01 EP disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP 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-20090171083-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 KDM4E 639/4885RCE1 1180/4885MAPK1 1781/4885
US-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 KDM4E 879/4885RCE1 752/4885MAPK1 1786/4885
US-20080177069-A1 PROCESS FOR PRODUCING 4-AMINOQUINAZOLINE COMPOUND HRH4, CYP3A4, HRH3 KDM4E 639/4885RCE1 1180/4885MAPK1 1781/4885
US-20050130995-A1 Chlorinating quinazolin-4-one in solvent in presence of a base; then reacting with an amine compound HRH4, HRH3, H1-4 KDM4E 2077/4885RCE1 1842/4885MAPK1 1196/4885

“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.