SCHEMBL6846934

SCHEMBL6846934

C=CCc1cc(N)cc(CC=C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MAPT P10636 4/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
XDH P47989 1/20 0.30
ALOX5 P09917 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 1/20 0.30
CNR1 P21554 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
CNR2 P34972 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL11575826 0.78 GABRA1 (0.39) GABRA1GABRB2MAPTGAAPOLB
SCHEMBL6846462 0.76 GABRA1 (0.38) GABRA1GABRB2GAAPOLBMEN1
SCHEMBL8517508 0.76 GABRA1 (0.47) GABRA1GABRB2MAPTGAAPOLB
SCHEMBL10410485 0.74 GABRA1 (0.36) GABRA1GABRB2MAPTGAAPOLB
SCHEMBL11304232 0.74 CYP2C19 (0.39) GABRA1GABRB2POLBCYP3A4CYP1A2
SCHEMBL11306575 0.73 GABRA1 (0.54) GABRA1GABRB2MAPTGAAMEN1
Bromide SCHEMBL10410488 0.73 GABRA1 (0.35) GABRA1GABRB2MAPTGAAPOLB
SCHEMBL9485968 0.72 GABRA1 (0.41) GABRA1GABRB2MAPTGAAPOLB
SCHEMBL6423969 0.72 GABRA1 (0.41) GABRA1GABRB2MAPTGAAPOLB
SCHEMBL5548473 0.71 GABRA1 (0.42) GABRA1GABRB2MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GABRA1 4446/4885GABRB2 4211/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GABRA1 4446/4885GABRB2 4211/4885MAPT 899/4885

“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.