SCHEMBL9979400

SCHEMBL9979400

COc1ncccc1-c1cncc(-c2nc(NCc3cncnc3)c3ccncc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.48
CYP3A4 P08684 9/20 0.48
CYP2D6 P10635 9/20 0.48
CYP2C19 P33261 9/20 0.48
TSHR P16473 8/20 0.48
USP2 O75604 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPK1 P28482 5/20 0.48
CLK4 Q9HAZ1 5/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 7/20 0.48
ALOX15 P16050 3/20 0.48
USP1 O94782 1/20 0.47
WDR48 Q8TAF3 1/20 0.47
PDE5A O76074 4/20 0.46
LATS1 O95835 4/20 0.45
LATS2 Q9NRM7 3/20 0.45

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
SCHEMBL9979316 0.93 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12039897 0.86 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL9979238 0.78 LATS1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL9979110 0.75 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL14475071 0.68 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12039899 0.67 PDE5A (0.54) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL9979137 0.67 PDE5A (0.55) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12039884 0.66 LATS1 (0.61) MAPK1LMNAALDH1A1LATS1LATS2
SCHEMBL7280346 0.65 KMT2A (0.82) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL14475166 0.65 MAPT (0.71) CYP1A2CYP3A4CYP2D6CYP2C19TSHR

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 4 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
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 CYP1A2 183/4885CYP3A4 580/4885CYP2D6 296/4885

“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.