SCHEMBL259504

SCHEMBL259504

COc1cccc(C(=O)Nc2cccnc2C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 3/20 0.58
PARP1 P09874 1/20 0.56
TSHR P16473 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 5/20 0.56
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 2/20 0.54
GFER P55789 1/20 0.54
ABCB1 P08183 1/20 0.54
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 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
SCHEMBL259618 0.91 MEN1 (0.67) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL28465931 0.84 MAPT (0.72) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL30733281 0.84 MAPT (0.72) MEN1KMT2ARAB9ASMN1; SMN2TSHR
SCHEMBL13319566 0.82 MEN1 (0.65) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11246385 0.82 MEN1 (1.00) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL882567 0.82 MEN1 (0.76) MEN1KMT2ARAB9ASMN1; SMN2PARP1
SCHEMBL18343125 0.79 ALDH1A1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL259608 0.79 ALDH1A1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL259543 0.79 MEN1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2PARP1
SCHEMBL8711039 0.77 F2 (0.72) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885RAB9A 613/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885RAB9A 613/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885RAB9A 613/4885

“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.