SCHEMBL4361840

SCHEMBL4361840

CN(C)c1ccc(C2=C3C=NC=C[N+]3(N)C(c3ccc(Oc4ccccc4)cc3)=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.37
KDM1A O60341 1/20 0.32
PGR P06401 1/20 0.31
IKBKB O14920 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL1131147 0.90 NPC1 (0.34) TNK2
SCHEMBL4364188 0.90 TNK2 (0.41) TNK2
SCHEMBL4357979 0.88 LTA4H (0.42) TNK2HTT
SCHEMBL4352081 0.86 MAOA (0.43) TNK2KDM1ASMN1; SMN2
SCHEMBL4364836 0.86 TAAR1 (0.37) TNK2
SCHEMBL4353437 0.85 MAPK14 (0.36) TNK2HTTSMN1; SMN2
SCHEMBL4363018 0.85 LTA4H (0.42) TNK2
SCHEMBL4540079 0.85 LTA4H (0.51) TNK2
SCHEMBL4358063 0.83 SRD5A2 (0.43) TNK2
SCHEMBL4362605 0.83 CHEK2 (0.39) TNK2PGRSMN1; SMN2

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 4 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
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 TNK2 2837/4885KDM1A 1540/4885PGR 280/4885

“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.