SCHEMBL5619982

SCHEMBL5619982

Cc1nc(C)n2nc(-c3cccc([N+](=O)[O-])c3)nc(-n3cncn3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.45
ALDH1A1 P00352 5/20 0.39
PKM P14618 4/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
THRB P10828 2/20 0.36

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
SCHEMBL5620165 0.88 ADORA3 (0.38) ALDH1A1PKMCA12CA1CA2
SCHEMBL8361755 0.78 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6288381 0.78 LMNA (0.34) ALDH1A1PKMCA12CA1CA2
SCHEMBL5620144 0.76 AHR (0.36) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL6291399 0.74 POLB (0.37) ALDH1A1MEN1KMT2AMAPK1CYP1A2
SCHEMBL8361756 0.74 ALOX5AP (0.36) ALDH1A1
SCHEMBL5916363 0.72 KDM4E (0.43) ALDH1A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL5916409 0.72 PDE10A (0.39) KMT2AMAPK1NPC1RAB9AMAPT
SCHEMBL5620682 0.70 POLB (0.44) AMY1AALDH1A1MEN1KMT2AMAPT
SCHEMBL5619024 0.70 GUSB (0.52) ALDH1A1PKMMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-20060166993-A1 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2006-07-27 US disclosed
EP-1599479-A1 SUBSTITUTED IMIDAZOTRIAZINES Bayer HealthCare AG (DE) 2005-11-30 EP disclosed
WO-2004005290-A1 SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 WO disclosed
WO-2004005290-A1 SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 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-20060166993-A1 Substituted imidazotriazines SNCA, PARK7, TPMT AMY1A 3862/4885ALDH1A1 1881/4885PKM 2361/4885

“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.