SCHEMBL545483

SCHEMBL545483

O=C(Nc1cc(C(F)(F)F)ccc1OCCN1CCCC1)c1ccc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.44
HTR2C P28335 4/20 0.44
FGFR1 P11362 1/20 0.44
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KCNH2 Q12809 2/20 0.40
MCHR1 Q99705 1/20 0.40
ABL1 P00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDR P35968 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SCN9A Q15858 2/20 0.39
TEK Q02763 1/20 0.39
MAPT P10636 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL545158 0.91 KDR (0.42) HTR2AHTR2CFGFR1KDM4EHTT
SCHEMBL545726 0.88 KDM4E (0.45) KDM4EHTTKMT2ARXFP1ALDH1A1
SCHEMBL10199786 0.87 KDR (0.51) HTR2AHTR2CFGFR1RXFP1KCNH2
SCHEMBL10199947 0.84 BRAF (0.47) KDRTEK
SCHEMBL545570 0.81 DDR2 (0.53) FGFR1KDM4EHTTKMT2AKCNH2
SCHEMBL545009 0.80 HTT (0.42) KDM4EHTTKMT2ARXFP1ALDH1A1
SCHEMBL545887 0.79 KDR (0.51) FGFR1KMT2ARXFP1ABL1KDR
SCHEMBL545902 0.78 KDR (0.53) HTR2AHTR2CFGFR1RXFP1KCNH2
SCHEMBL546229 0.78 MAPK14 (0.50) HTTABL1
SCHEMBL545489 0.76 BRAF (0.48) KDR

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 HTR2A 4215/4885HTR2C 3629/4885FGFR1 580/4885

“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.