SCHEMBL23780346

SCHEMBL23780346

Cn1ncc(-c2cn[nH]c2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.44
ROCK2 O75116 15/20 0.39
ROCK1 Q13464 10/20 0.39
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
BMPR1B O00238 1/20 0.36
KDR P35968 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVRL1 P37023 1/20 0.36
TGFBR2 P37173 1/20 0.36
ACVR1 Q04771 1/20 0.36
BMPR2 Q13873 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL9955454 0.77 LPAR1 (0.47)
SCHEMBL21233196 0.75 CYP11B2 (0.47) GPR35ROCK2ROCK1AKT1AKT2
SCHEMBL9955571 0.74 SMN1; SMN2 (0.49) KDR
SCHEMBL1777658 0.73 LPAR1 (0.42)
SCHEMBL22952421 0.71 ACVR1 (0.37) AKT1AKT2BMPR1BKDRBMPR1A
SCHEMBL9697757 0.70 PKM (0.41)
SCHEMBL9956226 0.70 PTGS2 (0.58) ROCK2ROCK1KDR
SCHEMBL1357879 0.69 HTT (0.50)
SCHEMBL9956557 0.68 PLK4 (0.44) ROCK2ROCK1KDR
SCHEMBL27926208 0.68 LPAR1 (0.36)

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 GPR35 3233/4885ROCK2 3627/4885ROCK1 3264/4885

“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.