SCHEMBL3102979

SCHEMBL3102979

COC(=O)Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.46
FFAR1 O14842 1/20 0.45
SRC P12931 1/20 0.44
PPARG P37231 1/20 0.44
EPHX2 P34913 2/20 0.44
AURKB Q96GD4 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK14 Q16539 1/20 0.43
KDM1A O60341 1/20 0.42
ACACB O00763 1/20 0.42
LIPE Q05469 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NR2F2 P24468 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL254138 0.85 TUBB4A (0.60) FFAR1SRCEPHX2AURKBKDM1A
SCHEMBL13096850 0.83 HRH3 (0.47) RETSRCPPARGEPHX2ACACB
SCHEMBL12782506 0.83 SRC (0.56) FFAR1SRCEPHX2AURKB
SCHEMBL11917498 0.83 SRC (0.66) FFAR1SRCEPHX2AURKB
SCHEMBL3103187 0.82 SRC (0.44) RETFFAR1SRCEPHX2ALDH1A1
SCHEMBL25380162 0.80 KDM1A (0.60) PPARGEPHX2GAASMN1; SMN2KDM4E
SCHEMBL7400266 0.80 GAA (0.62) EPHX2GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL10297946 0.80 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL13096968 0.79 HRH3 (0.41) RETFFAR1PPARGGAASMN1; SMN2
SCHEMBL13096969 0.79 HRH3 (0.40) RETFFAR1PPARGEPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256147-A1 BIARYL ACETAMIDE DERIVATIVES AS MODULATORS OF THE KINASE CASCADE FOR THE TREATMENT OF HEARING LOSS, OSTEOPOROSIS AND CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS, LLC 2010-10-07 US disclosed
WO-2008127727-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-10-23 WO 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-20100256147-A1 BIARYL ACETAMIDE DERIVATIVES AS MODULATORS OF THE KINASE CASCADE FOR THE TREATMENT OF HEARING LOSS, OSTEOPOROSIS AND CELL PROLIFERATION DISORDERS BMP2K, MAP3K2, MAP3K6 RET 643/4885FFAR1 3553/4885SRC 717/4885

“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.