SCHEMBL4365587

SCHEMBL4365587

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALOX5 P09917 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
NPY1R P25929 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN1 P18031 1/20 0.32
MAOA P21397 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL2462686 0.82
SCHEMBL4361709 0.79 NPC1 (0.39) CA1CA2CA9NPC1RAB9A
SCHEMBL1129125 0.78 APP (0.40) CA1CA2CA9
SCHEMBL4366174 0.77
SCHEMBL401507 0.76 ALDH1A1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL4365532 0.76 MEN1 (0.33) CA1CA2CA9RAB9AMEN1
SCHEMBL593646 0.74 NPC1 (0.33) CA1CA2CA9NPC1RAB9A
SCHEMBL4356365 0.74 AHR (0.31)
SCHEMBL4364399 0.74
SCHEMBL4362580 0.73 ERN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 MAOB 1396/4885CA1 4495/4885CA2 2438/4885

“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.