SCHEMBL29456567

SCHEMBL29456567

O=c1[nH]c2cccnc2cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
ATAD2 Q6PL18 1/20 0.59
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KHK P50053 1/20 0.47
RBP4 P02753 1/20 0.45
PARP1 P09874 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KIF11 P52732 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE2A O00408 1/20 0.40
PDE6D O43924 1/20 0.40

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
SCHEMBL22016868 0.84 ATAD2 (0.64) DAOATAD2KDM4EALDH1A1KHK
SCHEMBL30663285 0.75 ATAD2 (1.00) DAOATAD2KDM4EPARP1MAPT
SCHEMBL3364094 0.75 DAO (1.00) DAOATAD2PARP1PDE2APDE6D
SCHEMBL31143069 0.75 DAO (0.65) DAOATAD2KDM4EALDH1A1PARP1
SCHEMBL24970980 0.75 DAO (0.65) DAOATAD2KDM4EALDH1A1PARP1
SCHEMBL20156402 0.74 ATAD2 (0.51) DAOATAD2KDM4EALDH1A1PARP1
SCHEMBL30556309 0.73 DAO (0.55) DAOKDM4EALDH1A1KHKRBP4
SCHEMBL4017899 0.73 DAO (0.55) DAOKDM4EALDH1A1KHKRBP4
SCHEMBL24390514 0.72 ATAD2 (0.66) DAOATAD2KDM4EALDH1A1PARP1
SCHEMBL21549789 0.71 DAO (0.59) DAOATAD2KDM4EALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 WO disclosed
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 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-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 DAO 2278/4885ATAD2 1566/4885KDM4E 1237/4885

“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.