SCHEMBL680126

SCHEMBL680126

COc1cc(C)c([N+]#N)cc1Br.F[B-](F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.37
HTR2C P28335 3/20 0.37
TAAR1 Q96RJ0 3/20 0.37
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AXL P30530 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL2441444 0.76 EPAS1 (0.41)
SCHEMBL2862226 0.71 L3MBTL1 (0.50) HTR2AHTR2CTAAR1GRIN2DGRIN3B
SCHEMBL14247916 0.71 ALDH1A1 (0.36) L3MBTL1SMN1; SMN2POLBTSHR
SCHEMBL6588098 0.71 KDM4E (0.36) SMN1; SMN2POLBTSHRNQO2
SCHEMBL28507145 0.70 EPAS1 (0.44)
SCHEMBL10122740 0.69 TSHR (0.47) HTR2AHTR2CTAAR1GRIN2DGRIN3B
SCHEMBL12957756 0.69 NQO2 (0.48) HTR2AHTR2CTAAR1GRIN2DGRIN3B
SCHEMBL3136387 0.69 HTT (0.37) SMN1; SMN2
SCHEMBL28681894 0.69 ACHE (0.48) L3MBTL1SMN1; SMN2POLBTSHR
SCHEMBL22445580 0.69 HTR2A (0.44) HTR2AHTR2CTAAR1GRIN2DGRIN3B

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-RE43878-E1 Amidophenoxyindazoles useful as inhibitors of c-Met ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
EP-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed
US-8030302-B2 Amidophenoxyindazoles useful as inhibitors of c-Met ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2310382-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET Eli Lilly & Company (US) 2011-04-20 EP disclosed
WO-2010011538-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY (US) 2010-01-28 WO disclosed
US-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY 2010-01-28 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-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET MET, MYCBP, MYC HTR2A 2432/4885HTR2C 513/4885TAAR1 2988/4885

“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.