SCHEMBL278102

SCHEMBL278102

COc1cccc(C(=O)Nc2nccnc2C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 3/20 0.54
ADORA3 P0DMS8 1/20 0.54
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
BRD4 O60885 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 4/20 0.52
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GRM5 P41594 1/20 0.52
KCNQ3 O43525 1/20 0.52

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
SCHEMBL13319566 0.84 MEN1 (0.65) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13318532 0.83 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL259471 0.81 SMN1; SMN2 (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8711039 0.74 F2 (0.72) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17095050 0.74 NPC1 (0.72) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL277775 0.73 ALDH1A1 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL277650 0.73 ALDH1A1 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL29278946 0.73 MEN1 (0.76) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15652596 0.73 RXFP1 (0.72) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12112026 0.72 MAPT (0.62) KMT2AMEN1NPC1RAB9ASMN1; 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 2 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KMT2A 1722/4885MEN1 3330/4885NPC1 1963/4885

“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.