SCHEMBL259246

SCHEMBL259246

CCOC(=O)c1sc2ncccc2c1NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 8/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HPGD P15428 3/20 0.55
MAPT P10636 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TP53 P04637 1/20 0.49
GAA P10253 2/20 0.49
PDE4B Q07343 1/20 0.48
CSNK1D P48730 1/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL259035 0.84 ALDH1A1 (0.54) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL259346 0.82 LIMK1 (0.57) HTTKDM4EALDH1A1NPC1RAB9A
SCHEMBL4093018 0.81 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL7541097 0.80 KDM4E (0.59) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL719584 0.78 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL259185 0.77 MAPT (0.60) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5648903 0.77 KDM4E (0.53) HTTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL16475087 0.76 KDM4E (0.57) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL14581998 0.76 HTT (0.57) HTTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL258432 0.75 IKBKB (0.65) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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 8 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-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 (2 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 HTT 3321/4885SMN1; SMN2 4764/4885KDM4E 2196/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A HTT 3321/4885SMN1; SMN2 4764/4885KDM4E 2196/4885

“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.