SCHEMBL259186

SCHEMBL259186

CCOC(=O)c1oc2ncccc2c1NC(=O)c1csc(NC(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 6/20 0.46
HSP90AA1 P07900 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.41
GAA P10253 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
SCHEMBL14581998 0.78 HTT (0.57) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13102749 0.78 LMNA (0.51) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL259261 0.76 KDM4E (0.50) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL259251 0.75 KDM4E (0.58) MEN1KMT2ANPC1SMN1; SMN2CYP1A2
SCHEMBL13318503 0.74 KDM4E (0.49) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL259367 0.74 KDM4E (0.73) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13298498 0.73 HPGD (0.72) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL259197 0.73 KDM4E (0.50) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4871149 0.73 CYP1A2 (0.76) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL845028 0.70 KDM4E (0.47) RAB9AMEN1KMT2ANPC1SMN1; 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 10 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-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
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-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 RAB9A 613/4885MEN1 3330/4885KMT2A 1722/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A RAB9A 613/4885MEN1 3330/4885KMT2A 1722/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A RAB9A 613/4885MEN1 3330/4885KMT2A 1722/4885

“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.