SCHEMBL1129667

SCHEMBL1129667

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 7/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPSE Q9Y251 1/20 0.35
TNK2 Q07912 2/20 0.35
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHEK2 O96017 1/20 0.33
PDE7A Q13946 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
SCHEMBL1128848 0.90 LCK (0.35) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL1129376 0.85 CYP1A2 (0.35) TNK2
SCHEMBL4358274 0.84 TTR (0.36) TNK2TTR
SCHEMBL4361177 0.84 CYP1A2 (0.32) TNK2
SCHEMBL4358647 0.84 ERBB2 (0.35) TNK2
SCHEMBL4354319 0.84 NTRK1 (0.32) TNK2
SCHEMBL4361647 0.84 TTR (0.36) TNK2TTR
SCHEMBL4358853 0.83 TNK2 (0.35) ALDH1A1TNK2
SCHEMBL13504838 0.83
SCHEMBL4358280 0.82 TSHR (0.38) TNK2

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US claimed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP claimed
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
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO 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 SMN1; SMN2 267/4885MAPT 726/4885ALDH1A1 292/4885

“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.