SCHEMBL545158

SCHEMBL545158

O=C(Nc1cc(C(F)(F)F)ccc1OCCN1CCCC1)c1cnc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
SCN9A Q15858 3/20 0.41
FGFR1 P11362 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LTA4H P09960 2/20 0.37
RAF1 P04049 1/20 0.36
LCK P06239 1/20 0.36
BRAF P15056 1/20 0.36
TEK Q02763 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
SCHEMBL545483 0.91 HTR2A (0.44) KDRHTR2AHTR2CSCN9AFGFR1
SCHEMBL545009 0.89 HTT (0.42) KDRRXFP1HTTKDM4EKMT2A
SCHEMBL545902 0.87 KDR (0.53) KDRHTR2AHTR2CSCN9AFGFR1
SCHEMBL545726 0.80 KDM4E (0.45) KDRRXFP1HTTKDM4EKMT2A
SCHEMBL10199786 0.78 KDR (0.51) KDRHTR2AHTR2CFGFR1RXFP1
SCHEMBL10200860 0.77 KDR (0.52) KDRHTR2AHTR2CSCN9AFGFR1
SCHEMBL545259 0.77 BRAF (0.46) KDRKCNH2RAF1LCKBRAF
SCHEMBL545790 0.76 KDR (0.52) KDRHTR2AHTR2CSCN9AFGFR1
SCHEMBL5423110 0.76 KDR (0.54) KDRHTR2AHTR2CSCN9AFGFR1
SCHEMBL5428304 0.75 RAF1 (0.44) KDRABL1RAF1BRAFTEK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 KDR 1264/4885HTR2A 4215/4885HTR2C 3629/4885

“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.