SCHEMBL31362935

SCHEMBL31362935

O=c1c2ccccc2ccn1-c1ncc2ccsc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 6/20 0.35
MAPT P10636 3/20 0.35
KAT2B Q92831 2/20 0.35
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
MPI P34949 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
FEN1 P39748 1/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL31718088 0.75 PARP1 (0.43) ALDH1A1KDM4EGAAPKMTDP1
SCHEMBL35210773 0.73 KDM4E (0.51) ALDH1A1KDM4EMAPTKAT2BGAA
SCHEMBL798090 0.67 CYP11B1 (0.42) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL29923474 0.67 CYP11B1 (0.42) ALDH1A1LMNAKMT2AMEN1RAB9A
SCHEMBL31362766 0.66 CDC7 (0.33) ALDH1A1KDM4EMAPTGAAPKM
SCHEMBL14911768 0.65 IDO1 (0.40) ALDH1A1KDM4EGAAPKMLMNA
SCHEMBL29962872 0.65 GAA (0.51) ALDH1A1KDM4EMAPTKAT2BGAA
SCHEMBL28557365 0.65 GAA (0.51) ALDH1A1KDM4EMAPTKAT2BGAA
SCHEMBL2593323 0.65 KDM4E (0.47) ALDH1A1KDM4EMAPTG6PDPKM
SCHEMBL29431541 0.65 KDM4E (0.47) ALDH1A1KDM4EMAPTG6PDPKM

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
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 WO 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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 ALDH1A1 1171/4885KDM4E 958/4885MAPT 2243/4885

“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.