SCHEMBL7127849

SCHEMBL7127849

N#Cc1cn(-c2ccccc2)c2c(=O)[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
SRC P12931 1/20 0.45
ABCC1 P33527 5/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
ABCB1 P08183 2/20 0.41
HTT P42858 3/20 0.39
MCL1 Q07820 2/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL20912033 0.86 GRIA1 (0.47) ADORA3SRCABCC1KDM4EALDH1A1
SCHEMBL7127079 0.84 ABCC1 (0.45) ADORA3SRCABCC1KDM4EALDH1A1
SCHEMBL4225129 0.82 PARP1 (0.42) ADORA3ABCC1KDM4EALDH1A1HPGD
SCHEMBL20911692 0.80 SRC (0.51) ADORA3SRCKDM4EALDH1A1HPGD
SCHEMBL20911817 0.79 SRC (0.48) ADORA3SRCKDM4EALDH1A1HPGD
SCHEMBL20898390 0.79 SRC (0.48) ADORA3SRCKDM4EALDH1A1HPGD
SCHEMBL4221425 0.78 ABCC1 (0.52) ABCC1ALDH1A1SMN1; SMN2ABCB1MAPT
SCHEMBL8819526 0.78 SRC (0.64) ADORA3SRCKDM4EALDH1A1HPGD
SCHEMBL20911691 0.78 SRC (0.48) SRCHTTMAPTLMNAGAA
SCHEMBL20912335 0.74 SRC (0.49) ADORA3SRCKDM4EALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 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 (1 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP ADORA3 673/4885SRC 277/4885ABCC1 1351/4885

“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.