SCHEMBL4367263

SCHEMBL4367263

Nc1onc2cccc(F)c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
PARP1 P09874 2/20 0.37
TYMS P04818 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
HSP90AB1 P08238 1/20 0.33
HTR5A P47898 1/20 0.33
KCNK13 Q9HB14 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21596915 0.76 PARP1 (0.41) ACHEPARP1
SCHEMBL21596942 0.76 BACE1 (0.40) TYMS
SCHEMBL21596933 0.76 BRD4 (0.38)
SCHEMBL15924952 0.72
SCHEMBL21596923 0.72 ELANE (0.35) TYMS
SCHEMBL21596932 0.72 DCPS (0.51) ACHERPS6KA2HTR5A
SCHEMBL21596907 0.69 TYMS (0.43) TYMS
SCHEMBL21596935 0.68 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1781743 0.68 KDR (0.54)
SCHEMBL1013979 0.66 ALDH1A1 (0.44) ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
US-7410974-B2 Halogenated Quinazolinyl nitrofurans as antibacterial agents ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2008-08-12 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
EP-1660486-A4 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCT (CA) 2006-12-13 EP disclosed
US-20060258693-A1 Halogenated quinazolinyl nitrofurans as antibacterial agents ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2006-11-16 US disclosed
EP-1660486-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS Ulysses Pharmaceuticals Products Inc. (CA) 2006-05-31 EP disclosed
WO-2005014585-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2005-02-17 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-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS HRH3, HRH1, NQO2 ACHE 4534/4885PARP1 2980/4885TYMS 2570/4885
US-20060258693-A1 Halogenated quinazolinyl nitrofurans as antibacterial agents C1S, HRH1, NQO2 ACHE 4144/4885PARP1 2237/4885TYMS 2118/4885

“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.