SCHEMBL4820050

SCHEMBL4820050

CSc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.76
MCL1 Q07820 1/20 0.57
TSHR P16473 3/20 0.46
CASP6 P55212 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
APAF1 O14727 1/20 0.40
KDM4A O75164 1/20 0.40
DNMT1 P26358 1/20 0.40
DUSP3 P51452 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
SCHEMBL13715527 0.87 DTYMK (0.82) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL6493412 0.87 DTYMK (0.57) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL26775 0.86 DTYMK (1.00) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL143541 0.86 DTYMK (1.00) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL504562 0.86 DTYMK (0.81) DTYMKTSHRCASP6MEN1KMT2A
SCHEMBL29353295 0.86 DTYMK (1.00) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL4808743 0.85 DTYMK (0.55) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL2470206 0.85 DTYMK (0.78) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL29388000 0.85 DTYMK (0.97) DTYMKMCL1TSHRCASP6MEN1
SCHEMBL8577281 0.85 DTYMK (0.97) DTYMKMCL1TSHRCASP6MEN1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717711-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-21 US disclosed
US-10717711-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-21 US disclosed
US-20190194145-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
US-20190194145-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
US-20180258056-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-09-13 US disclosed
US-9994529-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-12 US disclosed
US-9994529-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-12 US disclosed
US-9994529-B2 Amino quinazolines as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-12 US disclosed
US-9771351-B2 Wnt signaling inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-09-26 US disclosed
US-20170152233-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-01 US disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed
EP-0015065-B1 PYRAZOLO (5,1-B) QUINAZOLIN-9(4H)-ONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1983-12-28 EP disclosed
US-4261996-A ANTIHISTAMINES WARNER-LAMBERT COMPANY (US) 1981-04-14 US disclosed
EP-0015065-A1 Pyrazolo (5,1-b) quinazolin-9(4H)-one derivatives, process for their preparation and pharmaceutical compositions containing them WARNER-LAMBERT COMPANY (US) 1980-09-03 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-20180258056-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP4K2 DTYMK 355/4885MCL1 627/4885TSHR 1506/4885
US-20190194145-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP4K2 DTYMK 355/4885MCL1 627/4885TSHR 1506/4885
US-20170152233-A1 AMINO QUINAZOLINES AS KINASE INHIBITORS ABL1, MAP3K3, MAP4K2 DTYMK 355/4885MCL1 627/4885TSHR 1506/4885
US-10717711-B2 Amino quinazolines as kinase inhibitors ABL1, MAP3K3, MAP4K2 DTYMK 355/4885MCL1 627/4885TSHR 1506/4885

“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.