SCHEMBL237909

SCHEMBL237909

Nc1c(CO)cnc2cc(C3CC3c3ccc(F)cc3)nn12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2B P41595 2/20 0.35
SLC6A3 Q01959 2/20 0.35
FYN P06241 3/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 3/20 0.33
CHRNA7 P36544 1/20 0.32
DPP4 P27487 1/20 0.31
NOS3 P29474 1/20 0.30
TGFBR1 P36897 3/20 0.30
TGFBR2 P37173 3/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30

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
SCHEMBL2755166 0.78 NPC1 (0.51) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL239025 0.76 FYN (0.38) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL237906 0.74 AKT1 (0.38) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL235071 0.73 NPC1 (0.36) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL236782 0.69 NPC1 (0.35) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL236328 0.67 NPC1 (0.52) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL235020 0.67 NPC1 (0.54) KDM4ENPC1RAB9ASMN1; SMN2DPP4
SCHEMBL2755214 0.66 NPC1 (0.61) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL238744 0.65 NPC1 (0.36) FYNKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL235072 0.65 NPC1 (0.43) FYNKDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 SLC6A2 3138/4885HTR2A 3819/4885HTR2C 4004/4885

“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.