SCHEMBL4540079

SCHEMBL4540079

CN(C)CCOc1ccc(C2=C3C=NC=C[N+]3(N)C(c3ccc(Oc4ccccc4)cc3)=N2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.51
TNK2 Q07912 2/20 0.42
LSS P48449 1/20 0.39
ACHE P22303 1/20 0.39
KDR P35968 1/20 0.38
CACNA1B Q00975 3/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TNKS O95271 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PLA2G2A P14555 1/20 0.34

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
SCHEMBL4542406 0.93 TNK2 (0.45) LTA4HTNK2LSSKDRESR1
SCHEMBL4365576 0.90 TNK2 (0.44) LTA4HTNK2ACHEKDRESR1
SCHEMBL4364836 0.86 TAAR1 (0.37) LTA4HTNK2
SCHEMBL1131147 0.85 NPC1 (0.34) LTA4HTNK2
SCHEMBL4361840 0.85 TNK2 (0.37) TNK2
SCHEMBL4357979 0.83 LTA4H (0.42) LTA4HTNK2
SCHEMBL4352081 0.82 MAOA (0.43) TNK2
SCHEMBL4353437 0.81 MAPK14 (0.36) LTA4HTNK2
SCHEMBL4363018 0.81 LTA4H (0.42) LTA4HTNK2ESR1ESR2
SCHEMBL4359791 0.81 TNK2 (0.43) 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 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 LTA4H 4152/4885TNK2 2837/4885LSS 1688/4885

“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.