SCHEMBL23780341

SCHEMBL23780341

O=C(O)c1ccnn1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GLS O94925 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
BCHE P06276 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK1 Q13464 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL856957 0.86 POLB (0.52) GLSPOLBALDH1A1GAAHCRTR1
Hydrochloric Acid SCHEMBL11893514 0.85 POLB (0.50) GLSPOLBALDH1A1GAAHCRTR1
SCHEMBL27134892 0.83 CCNC (0.42) NAPRTMAPK8MAPK9MAPK10GLS
SCHEMBL23780337 0.81 HCAR2 (0.41) NAPRTGLSPOLBALDH1A1GAA
SCHEMBL23235398 0.81 KDM5A (0.43) GLSPOLBALDH1A1GAAMEN1
SCHEMBL26124906 0.81 L3MBTL1 (0.46) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL23780338 0.79 ALDH1A1 (0.46) NAPRTALDH1A1GAAKDM4CSMN1; SMN2
SCHEMBL19640088 0.78 KDM4C (0.43) POLBALDH1A1KDM5AKDM4CKDM5B
SCHEMBL2854073 0.74 ROCK1 (0.59) GLSPOLBALDH1A1ROCK1BRAF
SCHEMBL27914603 0.74 NR4A3 (0.44) GLSPOLBALDH1A1GAAHCRTR1

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
EP-4308558-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-24 EP disclosed
US-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS BANTAM PHARMACEUTICAL LLC (US) 2021-09-09 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-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS TP53, MKI67, VHL NAPRT 260/4885MAPK8 2968/4885MAPK9 3044/4885

“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.