SCHEMBL1129674

SCHEMBL1129674

Fc1cc(Oc2ccccc2)c(F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
ERBB2 P04626 1/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RHEB Q15382 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL1129166 0.82 TTR (0.46) LTA4HSLC6A4HTR2ANTRK1NTRK3
SCHEMBL5669941 0.77 SLC6A4 (0.50) LTA4HTSHRSLC6A4HTR2AHRH1
SCHEMBL1129244 0.77 SLC6A4 (0.50) LTA4HTSHRSLC6A4HTR2AERBB2
SCHEMBL22199179 0.77 SLC6A4 (0.41) LTA4HTSHRSLC6A4HTR2AHRH1
SCHEMBL17608862 0.77 VEGFA (0.44) SLC6A4HTR1ASLC6A2SLC6A3KMT2A
SCHEMBL9318461 0.76 SLC6A4 (0.49) LTA4HTSHRSLC6A4HTR2ACYP1A2
SCHEMBL24893549 0.74 TSHR (0.52) LTA4HTSHRSLC6A4NTRK1NTRK3
SCHEMBL20511766 0.74 LTA4H (0.48) LTA4HTSHRRHEBGAAKMT2A
SCHEMBL18181839 0.74 SLC6A4 (0.42) LTA4HTSHRSLC6A4HTR2AHRH1
SCHEMBL7420394 0.74 LTA4H (0.48) LTA4HTSHRSLC6A4RHEBGAA

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 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 LTA4H 4152/4885TSHR 902/4885SLC6A4 2219/4885

“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.