SCHEMBL5368604

SCHEMBL5368604

O=[N+]([O-])c1cccc(-c2nc3c(Cl)ncnc3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.50
NPC1 O15118 11/20 0.50
MAPT P10636 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ELANE P08246 1/20 0.49
GRM5 P41594 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PSMB8 P28062 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CHRNB2 P17787 1/20 0.43

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
SCHEMBL5349645 0.85 MMP2 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14355883 0.83 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5351369 0.81 EGFR (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29439806 0.79 APP (0.39) RAB9ANPC1SMN1; SMN2
SCHEMBL22715102 0.79 APP (0.39) RAB9ANPC1SMN1; SMN2
SCHEMBL783019 0.77 ADK (0.51) RAB9ANPC1SMN1; SMN2
SCHEMBL5357782 0.77 GABRP (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5350251 0.77 GSK3B (0.53) RAB9AMAPTMEN1KMT2A
SCHEMBL9047230 0.76 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14693753 0.75 MEN1 (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294633-B2 Oxazolo-and furopyrimidines and their use in medicaments against tumors NOVARTIS AG (CH) 2007-11-13 US disclosed
US-7294633-B2 Oxazolo-and furopyrimidines and their use in medicaments against tumors NOVARTIS AG (CH) 2007-11-13 US disclosed
EP-1390371-B1 OXAZOLO-AND FUROPYRIMIDINES AND THEIR USE IN MEDICAMENTS AGAINST TUMORS NOVARTIS AG (CH) 2006-03-08 EP disclosed
US-20040152892-A1 Oxazolo-and furopyrimidines and their use in medicaments against tumors NOVARTIS AG (CH) 2004-08-05 US disclosed
EP-1390371-A1 OXAZOLO-AND FUROPYRIMIDINES AND THEIR USE IN MEDICAMENTS AGAINST TUMORS Novartis AG (CH) 2004-02-25 EP disclosed
WO-2002092603-A1 OXAZOLO-AND FUROPYRIMIDINES AND THEIR USE IN MEDICAMENTS AGAINST TUMORS NOVARTIS AG (CH) 2002-11-21 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 (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-20040152892-A1 Oxazolo-and furopyrimidines and their use in medicaments against tumors DPYD, COXFA4L2, MSH2 RAB9A 4764/4885NPC1 2316/4885MAPT 3299/4885

“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.