SCHEMBL259376

SCHEMBL259376

O=C(Nc1c(C(=O)O)oc2ncccc12)c1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL259094 0.90 ALDH1A1 (0.46) ALDH1A1HPGDTP53POLBCTNNB1
SCHEMBL259261 0.84 KDM4E (0.50) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL259335 0.84 ALDH1A1 (0.53) ALDH1A1HPGDTP53POLBKMT2A
SCHEMBL259253 0.79 MEN1 (0.57) ALDH1A1HPGDTP53POLBKMT2A
SCHEMBL259193 0.78 RAB9A (0.53) ALDH1A1TP53POLBKMT2AMEN1
SCHEMBL259192 0.77 MAPT (0.56) ALDH1A1TP53POLBKMT2AMAPT
SCHEMBL259344 0.76 KDR (0.50) ALDH1A1TP53POLBKMT2AMEN1
SCHEMBL259348 0.75 ALDH1A1 (0.66) ALDH1A1HPGDTP53POLBKMT2A
SCHEMBL259087 0.72 MAPT (0.57) ALDH1A1HPGDTP53KMT2AMEN1
SCHEMBL736261 0.70 LMNA (0.62) ALDH1A1HPGDPOLBCTNNB1TCF7L2

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 ALDH1A1 4428/4885HPGD 4466/4885TP53 92/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885HPGD 4466/4885TP53 92/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885HPGD 4466/4885TP53 92/4885

“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.