SCHEMBL23780337

SCHEMBL23780337

O=C(O)c1ccnn1-c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.41
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
BCAT2 O15382 1/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GLS O94925 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
XDH P47989 1/20 0.33
GRM1 Q13255 1/20 0.33
APP P05067 1/20 0.32
HCAR3 P49019 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL23780338 0.83 ALDH1A1 (0.46) HCAR2ALDH1A1GAANAMPTSMN1; SMN2
SCHEMBL23780341 0.81 NAPRT (0.43) ALDH1A1GAASMN1; SMN2GRNSORT1
SCHEMBL856957 0.79 POLB (0.52) ALDH1A1GAASMN1; SMN2GRNSORT1
Hydrochloric Acid SCHEMBL11893514 0.78 POLB (0.50) ALDH1A1GAASMN1; SMN2GRNSORT1
SCHEMBL23235398 0.75 KDM5A (0.43) ALDH1A1GAASMN1; SMN2GLSKDM5A
SCHEMBL26124906 0.75 L3MBTL1 (0.46) KDM5AKDM4CKDM5B
SCHEMBL23235397 0.73 NAPRT (0.46) KDM5AKDM4CKDM5BNAPRTPOLB
SCHEMBL23780363 0.72 KDM4E (0.43) HCAR2EGLN1KDM5AKDM4CKDM5B
Hydrochloric Acid SCHEMBL29895985 0.72 NAPRT (0.45) XDHNAPRTPOLB
SCHEMBL19640088 0.71 KDM4C (0.43) ALDH1A1KDM5AKDM4CKDM5BXDH

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-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 HCAR2 2876/4885ALDH1A1 335/4885GAA 4042/4885

“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.