SCHEMBL17242531

SCHEMBL17242531

Cc1ccc2c(=O)n(C(c3ccccc3)c3ccc(Cl)cc3)c(=O)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.47
▸ ADRA2A P08913 4/20 0.39
▸ CHRM2 P08172 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ DRD1 P21728 3/20 0.39
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ TBXA2R P21731 3/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 3/20 0.38

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
SCHEMBL17242719 0.76 CA9 (0.45) ADRA2ACHRM2CHRM1DRD1SLC6A2
SCHEMBL17242621 0.75 GRM4 (0.42) GRM4SLC6A4CYP2C19DRD2LMNA
SCHEMBL17242623 0.75 GRM4 (0.42) GRM4SLC6A4CYP2C19DRD2LMNA
SCHEMBL10085014 0.72 PARG (0.48) SLC6A2MEN1KMT2ALMNAGAA
SCHEMBL17241856 0.72 ERCC1 (0.48) GRM4DRD1TSHRSMN1; SMN2MEN1
SCHEMBL17241859 0.72 ERCC1 (0.48) GRM4DRD1TSHRSMN1; SMN2MEN1
SCHEMBL17241791 0.71 ATM (0.41) GRM4KCNH2NTRK1TP53MAPT
SCHEMBL17241790 0.71 ATM (0.41) GRM4KCNH2NTRK1TP53MAPT
SCHEMBL17242620 0.71 ATM (0.41) GRM4KCNH2NTRK1TP53MAPT
SCHEMBL5987420 0.70 ALDH1A1 (0.53) GRM4CYP2C19CYP1A2PDE3ASMN1; SMN2

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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 — — US claimed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 — — EP claimed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 — — WO claimed
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 — — US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 — — EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 — — 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 GRM4 36/4885ADRA2A 160/4885CHRM2 120/4885

“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.

Send feedback