SCHEMBL6846462

SCHEMBL6846462

C=CCc1cc(N)cc(CC=C)c1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.38
GABRB2 P47870 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL9788878 0.89 KDM4E (0.38) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL14816432 0.79 GABRA1 (0.36) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL5849191 0.79 GABRA1 (0.45) GABRA1GABRB2ALDH1A1KDM4EMEN1
SCHEMBL25700696 0.79 ESR1 (0.37) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL9115480 0.77 ALOX5 (0.48) GABRA1GABRB2ALDH1A1KDM4EMEN1
SCHEMBL6846934 0.76 GABRA1 (0.38) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL8517508 0.76 GABRA1 (0.47) GABRA1GABRB2ALDH1A1KDM4EMEN1
SCHEMBL2555304 0.76 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL11757501 0.74 GABRA1 (0.36) GABRA1GABRB2ALDH1A1KDM4EMEN1
SCHEMBL13263628 0.74 NPSR1 (0.42) ALDH1A1TSHRKDM4EMEN1KMT2A

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 4211/4885ALDH1A1 3632/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA GABRA1 4446/4885GABRB2 4211/4885ALDH1A1 3632/4885

“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.