SCHEMBL2290053

SCHEMBL2290053

N#Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
FASN P49327 1/20 0.60
ESR1 P03372 3/20 0.59
ESR2 Q92731 3/20 0.59
CSF1R P07333 3/20 0.54
CYP19A1 P11511 1/20 0.51
AR P10275 1/20 0.49
PTGS2 P35354 8/20 0.48
PDE9A O76083 1/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL29031851 0.81 FASN (0.56) MEN1KMT2AFASNESR1ESR2
SCHEMBL30472347 0.81 FASN (0.56) MEN1KMT2AFASNESR1ESR2
SCHEMBL18552154 0.78 ESR1 (0.69) ESR1ESR2PTGS2
SCHEMBL18552201 0.78 ESR1 (0.69) ESR1ESR2PTGS2
SCHEMBL19967788 0.78 MEN1 (0.57) MEN1KMT2AFASNCSF1RCYP19A1
SCHEMBL11354470 0.77 HTR6 (0.55) MEN1KMT2AFASNCYP19A1
SCHEMBL18610257 0.77 ESR1 (0.73) ESR1ESR2PTGS2
SCHEMBL27902506 0.77 ESR1 (0.67) ESR1ESR2CYP19A1PTGS2
SCHEMBL30480932 0.76 CHUK (0.63) MEN1KMT2AFASNCYP19A1AR
SCHEMBL1247669 0.76 CHUK (0.63) MEN1KMT2AFASNCYP19A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US claimed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
WO-2010046013-A1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2010-04-29 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MEN1 128/4885KMT2A 238/4885FASN 4731/4885

“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.