SCHEMBL259202

SCHEMBL259202

O=c1[nH]c(-c2ccccc2)nc2c1[nH]c1ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.53
TNKS O95271 4/20 0.53
TNKS2 Q9H2K2 4/20 0.53
HPGD P15428 3/20 0.51
AURKA O14965 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
CSNK1D P48730 1/20 0.50
CSNK2A1 P68400 1/20 0.50
DYRK1A Q13627 1/20 0.50
PIM3 Q86V86 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
ADORA2B P29275 1/20 0.49
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL7273706 0.79 PTGES (0.50) PARP1AURKAGAA
SCHEMBL7279665 0.79 NPC1 (0.53) PARP1TNKSTNKS2AURKANPC1
SCHEMBL15776205 0.79 ADORA2A (0.55) PARP1TNKSTNKS2HPGDAURKA
SCHEMBL5323937 0.77 MAP4K4 (0.52) PARP1TNKSTNKS2HPGDMAP4K4
SCHEMBL30171053 0.77 MAP4K4 (0.52) PARP1TNKSTNKS2HPGDMAP4K4
SCHEMBL259213 0.77 CHEK1 (0.57) PARP1TNKSTNKS2HPGDPARP2
SCHEMBL7328428 0.76 AURKA (0.54) PARP1TNKSTNKS2AURKA
SCHEMBL12700454 0.76 KMT2A (0.49) HPGDKDM4CALDH1A1MAPTNPC1
SCHEMBL12521338 0.76 MAPT (0.48) HPGDKDM4CALDH1A1MAPTNPC1
SCHEMBL13573358 0.76 MAPT (0.48) HPGDKDM4CALDH1A1MAPTNPC1

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 11 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
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP 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 PARP1 1165/4885TNKS 578/4885TNKS2 487/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PARP1 1165/4885TNKS 578/4885TNKS2 487/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A PARP1 1165/4885TNKS 578/4885TNKS2 487/4885

“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.