SCHEMBL12415883

SCHEMBL12415883

CSc1ccc(NC(=O)N2CCOc3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 2/20 0.49
LMNA P02545 1/20 0.49
SHMT2 P34897 2/20 0.44
ALDH1A1 P00352 1/20 0.43
KDR P35968 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
TP53 P04637 2/20 0.42
ATM Q13315 1/20 0.42
THRB P10828 1/20 0.41
FGFR4 P22455 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
TRPA1 O75762 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL12415864 0.89 MAPT (0.53) MAPTRXFP1LMNASHMT2ALDH1A1
SCHEMBL12415805 0.86 MAPT (0.52) MAPTRXFP1LMNASHMT2ALDH1A1
SCHEMBL12415866 0.85 MAPT (0.49) MAPTRXFP1LMNASHMT2ALDH1A1
SCHEMBL12415858 0.85 TRPV1 (0.53) MAPTRXFP1LMNASHMT2KDR
SCHEMBL12415881 0.84 PANK3 (0.53) MAPTRXFP1LMNASHMT2TP53
SCHEMBL12415878 0.84 TP53 (0.50) MAPTRXFP1LMNASHMT2KDR
SCHEMBL12415900 0.84 MAPT (0.48) MAPTRXFP1LMNASHMT2KDR
SCHEMBL12415875 0.82 MAPT (0.54) MAPTRXFP1LMNAALDH1A1KDR
SCHEMBL12415906 0.82 MAPT (0.49) MAPTRXFP1LMNASHMT2KDR
SCHEMBL12415872 0.81 NPSR1 (0.53) MAPTRXFP1LMNASHMT2ALDH1A1

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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R3, AKT3, AKT2 MAPT 2999/4885RXFP1 3699/4885LMNA 4160/4885

“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.