SCHEMBL9979050

SCHEMBL9979050

COc1ncccc1-c1cccc(-c2nc(N3CCCC(NC(=O)O)C3)c3ccncc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.42
USP30 Q70CQ3 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
LATS1 O95835 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BTK Q06187 1/20 0.38
KDM4E B2RXH2 1/20 0.37
STAT6 P42226 1/20 0.37
LATS2 Q9NRM7 1/20 0.37

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
SCHEMBL12058167 0.94 GBA1 (0.41) GBA1USP30IRAK4DGAT2MAPT
SCHEMBL9979238 0.69 LATS1 (0.61) ALDH1A1LATS1USP2LMNATSHR
SCHEMBL1623929 0.69 SMAD3 (0.53) MAPTALDH1A1PPARDPPARANPSR1
SCHEMBL1623761 0.69 SMAD3 (0.53) MAPTALDH1A1PPARDPPARANPSR1
SCHEMBL1623765 0.69 SMAD3 (0.53) MAPTALDH1A1PPARDPPARANPSR1
SCHEMBL12039897 0.68 CYP1A2 (0.55) GBA1MAPTALDH1A1GAALATS1
SCHEMBL9979316 0.66 CYP1A2 (0.54) GBA1MAPTALDH1A1GAALATS1
SCHEMBL28770960 0.65 SMAD3 (0.48) MAPTALDH1A1NPSR1LMNATSHR
SCHEMBL31333706 0.65 ADORA1 (0.41) IRAK4MAPK1
SCHEMBL27713969 0.65 SMAD3 (0.48) MAPTALDH1A1NPSR1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 US claimed
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 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-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS PDE5A, PDE12, PDE7B GBA1 355/4885USP30 575/4885IRAK4 3715/4885

“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.