SCHEMBL7275863

SCHEMBL7275863

CCc1nccn1Cc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
KCNH2 Q12809 7/20 0.44
TAAR1 Q96RJ0 4/20 0.41
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALPG P10696 2/20 0.37
PLAA Q9Y263 1/20 0.37
ALPL P05186 1/20 0.36
CXCR4 P61073 1/20 0.36

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
SCHEMBL14035741 0.83 ALOX15 (0.44) ALOX15KCNH2TAAR1HTR1AALDH1A1
SCHEMBL15925068 0.83 ALOX15 (0.44) ALOX15KCNH2TAAR1HTR1ACXCR4
SCHEMBL3511243 0.79 ALOX15 (0.50) ALOX15KCNH2TAAR1HTR1AALDH1A1
SCHEMBL14008876 0.79 ALOX15 (0.41) ALOX15TAAR1HTR1ACXCR4
SCHEMBL15095814 0.76 TAAR1 (0.39) ALOX15TAAR1HTR1ACXCR4
SCHEMBL22431714 0.75 TAAR1 (0.36) ALOX15TAAR1HTR1ACXCR4
SCHEMBL10112169 0.73 TSHR (0.37) ALOX15TAAR1CXCR4
SCHEMBL12169779 0.73 TAAR1 (0.37) ALOX15TAAR1CXCR4
SCHEMBL464450 0.72
SCHEMBL131702 0.71

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
WO-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
EP-0400583-B1 Imidazoquinoxalinones, their aza analogs and process for their preparation BERLEX LAB (US) 1999-11-17 EP disclosed
US-5166344-A Process for the preparation of imidazoquinoxalinones BERLEX LABORATORIES, INC. (US) 1992-11-24 US disclosed
US-5055465-A IMIDAZOQUINOXALINONES, THEIR AZA ANALOGS AND PROCESS FOR THEIR PREPARATION BERLEX LABORATORIES, INC. (US) 1991-10-08 US disclosed
EP-0400583-A1 Imidazoquinoxalinones, their aza analogs and process for their preparation BERLEX LABORATORIES, INC. (US) 1990-12-05 EP 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-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA ALOX15 1472/4885KCNH2 4437/4885TAAR1 4494/4885

“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.