SCHEMBL9979137

SCHEMBL9979137

Brc1cccc(-c2nc(NCc3ccncc3)c3ccncc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.55
PTGS1 P23219 2/20 0.55
TBXAS1 P24557 2/20 0.55
PTGS2 P35354 2/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 6/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP2D6 P10635 5/20 0.55
CYP2C19 P33261 5/20 0.55
TSHR P16473 5/20 0.55
MAPK1 P28482 5/20 0.55
HSD17B10 Q99714 4/20 0.55
CLK4 Q9HAZ1 4/20 0.55
USP2 O75604 4/20 0.55
LMNA P02545 3/20 0.55
GBA1 P04062 2/20 0.55
TP53 P04637 1/20 0.55
LATS1 O95835 5/20 0.53

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
SCHEMBL9979110 0.80 CYP1A2 (0.52) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL9979369 0.79 LATS1 (0.51) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL12039897 0.79 CYP1A2 (0.55) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL9979331 0.78 LATS1 (0.50) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL1062736 0.76 PDE5A (0.89) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7437119 0.76 PDE5A (0.74) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL9979245 0.76 IRAK1 (0.45) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL7285873 0.76 PDE5A (0.78) PDE5APTGS1TBXAS1PTGS2MEN1
SCHEMBL9979356 0.75 NPC1 (0.43) MEN1KMT2AALDH1A1TSHRGBA1
SCHEMBL4863906 0.75 PDE5A (0.75) PDE5APTGS1TBXAS1PTGS2MEN1

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 3 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 disclosed
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 US disclosed
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 PDE5A 1/4885PTGS1 705/4885TBXAS1 390/4885

“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.