SCHEMBL23780339

SCHEMBL23780339

O=C(O)c1cc(-c2cncnc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
ALPL P05186 12/20 0.60
CA12 O43570 5/20 0.60
RPA1 P27694 1/20 0.58
CA9 Q16790 3/20 0.55
HPGDS O60760 1/20 0.55
KDM4E B2RXH2 1/20 0.50
MARS1 P56192 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIN1 Q13526 1/20 0.49

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
SCHEMBL1816813 0.81 TP53 (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL222852 0.79 TP53 (0.74) TP53ALPLCA12RPA1CA9
SCHEMBL726574 0.78 TP53 (1.00) TP53ALPLCA12RPA1CA9
Hydrochloric Acid SCHEMBL27639048 0.77 TP53 (0.72) TP53ALPLCA12RPA1CA9
SCHEMBL31412652 0.76 TP53 (0.65) TP53ALPLCA12RPA1CA9
SCHEMBL2838112 0.76 TP53 (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL1414100 0.75 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL2658851 0.75 ALPL (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL2885575 0.74 ALPL (0.66) TP53ALPLCA12RPA1CA9
SCHEMBL15094586 0.74 ALPL (1.00) TP53ALPLCA12RPA1CA9

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 TP53 1/4885ALPL 4652/4885CA12 728/4885

“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.