SCHEMBL4365576

SCHEMBL4365576

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.44
LTA4H P09960 3/20 0.41
CYP2D6 P10635 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 4/20 0.37
KCNH2 Q12809 2/20 0.37
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CHRM2 P08172 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
CHRM1 P11229 2/20 0.37
PTGS1 P23219 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
DRD3 P35462 2/20 0.37
HTR6 P50406 2/20 0.37

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
SCHEMBL4540079 0.90 LTA4H (0.51) TNK2LTA4HESR1KDRACHE
SCHEMBL1131147 0.84 NPC1 (0.34) TNK2LTA4H
SCHEMBL4542406 0.83 TNK2 (0.45) TNK2LTA4HESR1SIGMAR1KDM4E
SCHEMBL4357979 0.82 LTA4H (0.42) TNK2LTA4HHTTKMT2AKDM4E
SCHEMBL4361840 0.81 TNK2 (0.37) TNK2HTTPGR
SCHEMBL4352081 0.81 MAOA (0.43) TNK2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL4364836 0.81 TAAR1 (0.37) TNK2LTA4HSLC6A2SLC6A4KMT2A
SCHEMBL4353437 0.80 MAPK14 (0.36) TNK2LTA4HHTTHRH3
SCHEMBL4363018 0.80 LTA4H (0.42) TNK2LTA4HESR1KMT2AMEN1
SCHEMBL4362605 0.79 CHEK2 (0.39) TNK2CYP1A2CYP2C9CYP2C19ERBB2

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 2837/4885LTA4H 4152/4885CYP2D6 21/4885

“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.