SCHEMBL259336

SCHEMBL259336

O=C(Nc1c(C(=O)O)[nH]c2ncccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NAMPT P43490 2/20 0.46
KDR P35968 1/20 0.45
AURKA O14965 2/20 0.44
MAPK13 O15264 1/20 0.44
CHEK2 O96017 1/20 0.44
NTRK1 P04629 1/20 0.44
RET P07949 1/20 0.44
HCK P08631 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT4 P35916 1/20 0.44
LIMK1 P53667 1/20 0.44
SIK1 P57059 1/20 0.44
TNK2 Q07912 1/20 0.44
AURKB Q96GD4 1/20 0.44
WNK3 Q9BYP7 1/20 0.44
ADORA3 P0DMS8 2/20 0.44

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
SCHEMBL259196 0.89 ALDH1A1 (0.47) KMT2ANAMPTKDRAURKAMAPK13
SCHEMBL259185 0.83 MAPT (0.60) MAPTMEN1KMT2AKDM4E
SCHEMBL9816494 0.80 MAPT (0.70) MAPTMEN1KMT2AKDM4E
SCHEMBL259199 0.75 F2 (0.51) MAPTKMT2AADORA3F2NPC1
SCHEMBL16497523 0.74 AURKA (0.46) MAPTKDM4EAURKAKDM4DKDM4C
SCHEMBL7976276 0.74 KDM4E (0.46) MAPTMEN1KMT2AKDM4EAURKA
SCHEMBL16497485 0.74 AURKA (0.46) MAPTKDM4EAURKAFGFR1KDM4D
SCHEMBL4070897 0.73 AURKA (0.45) MAPTKMT2AKDM4EAURKACDK8
SCHEMBL16496875 0.73 AURKA (0.45) MAPTKDM4EAURKALIMK1KDM4D
SCHEMBL7975743 0.73 AURKA (0.45) MAPTKDM4EAURKAKDM4DKDM4C

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 MAPT 3923/4885MEN1 3330/4885KMT2A 1722/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885MEN1 3330/4885KMT2A 1722/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885MEN1 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.