SCHEMBL4540501

SCHEMBL4540501

N[N+]12C=CN=CC1=C(c1cc[nH]c1)N=C2c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.37
XDH P47989 1/20 0.31
NPC1 O15118 1/20 0.30
LTA4H P09960 1/20 0.30
SCN4A P35499 1/20 0.30
RAB9A P51151 1/20 0.30
CHEK2 O96017 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 0.87 NPC1 (0.34) TNK2XDHNPC1LTA4HSCN4A
SCHEMBL4361491 0.85 BTK (0.38) TNK2XDHNPC1LTA4HSCN4A
SCHEMBL4352081 0.84 MAOA (0.43) TNK2XDHNPC1RAB9ACHEK2
SCHEMBL4357979 0.83 LTA4H (0.42) TNK2NPC1LTA4HRAB9A
SCHEMBL4353437 0.83 MAPK14 (0.36) TNK2XDHNPC1LTA4HSCN4A
SCHEMBL4363018 0.83 LTA4H (0.42) TNK2XDHNPC1LTA4HSCN4A
SCHEMBL4358894 0.81 TNK2 (0.42) TNK2XDHCHEK2
SCHEMBL4362605 0.80 CHEK2 (0.39) TNK2CHEK2
SCHEMBL4363023 0.80 TNK2 (0.39) TNK2NPC1LTA4HSCN4ARAB9A
SCHEMBL4358063 0.80 SRD5A2 (0.43) TNK2CHEK2

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 5 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
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 2837/4885XDH 145/4885NPC1 294/4885

“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.