SCHEMBL9979245

SCHEMBL9979245

Cc1nnc2ccc(-c3cccc(-c4nc(NCc5ccncc5)c5ccncc5n4)c3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
USP2 O75604 4/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 4/20 0.45
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LATS1 O95835 5/20 0.44
LATS2 Q9NRM7 4/20 0.44

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 0.76 CYP1A2 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL9979137 0.76 PDE5A (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL9979369 0.75 LATS1 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12039897 0.73 CYP1A2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL9979331 0.70 LATS1 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL9979316 0.67 CYP1A2 (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1062736 0.67 PDE5A (0.89) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL14475166 0.66 MAPT (0.71) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10960250 0.66 GRK5 (0.61) CYP1A2CYP3A4LMNAALDH1A1MAPT
SCHEMBL11170763 0.64 MAPK14 (0.52) TSHRALDH1A1HSD17B10KDM4ETP53

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 IRAK1 3574/4885IRAK4 3715/4885MEN1 2036/4885

“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.