SCHEMBL4368286

SCHEMBL4368286

O=[N+]([O-])c1ccc(C=Cc2nc(Nc3cccnc3)c3cc(F)ccc3n2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.41
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
CSK P41240 1/20 0.40
BTK Q06187 1/20 0.40
PTK6 Q13882 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4368278 1.00 ABCG2 (0.41) ABCG2LCKLYNSRCCSK
SCHEMBL4373849 0.94 LCK (0.40) ABCG2LCKLYNSRCCSK
SCHEMBL4373853 0.94 LCK (0.40) ABCG2LCKLYNSRCCSK
SCHEMBL4365649 0.84 KMT2A (0.48) LCKLYNSRCCSKBTK
SCHEMBL4371363 0.84 KMT2A (0.48) LCKLYNSRCCSKBTK
SCHEMBL14164373 0.84 PDE5A (0.37) ABCG2BTKKMT2AALDH1A1MAPT
SCHEMBL4372181 0.83 PIK3CA (0.38) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL4372173 0.83 PIK3CA (0.38) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL4363290 0.83 PIK3CA (0.38) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL4363294 0.83 PIK3CA (0.38) MEN1KMT2AALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US 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 (1 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 ABCG2 461/4885LCK 4250/4885LYN 3978/4885

“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.