SCHEMBL16796377

SCHEMBL16796377

N#Cc1cccc2c1cc(C=NO)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ PPME1 Q9Y570 3/20 0.38
▸ HTR6 P50406 9/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ APEH P13798 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL16796376 1.00 CNR2 (0.40) CNR2SRCPPME1HTR6HTR1A
SCHEMBL19771695 0.85 HTR6 (0.40) CNR2HTR6MTNR1B
SCHEMBL16796191 0.85 CNR2 (0.43) CNR2SRCPPME1HTR6APEH
SCHEMBL19771696 0.77 HTR6 (0.47) CNR2SRCHTR6HTR1ADRD2
SCHEMBL31487098 0.71 GAA (0.47) HTR6HTT
SCHEMBL4785680 0.69 HTR6 (0.62) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL30229368 0.67 SRC (0.42) SRCHTR6HTR1ADRD2HTR1D
SCHEMBL20839545 0.67 SRC (0.42) SRCHTR6HTR1ADRD2HTR1D
SCHEMBL25423168 0.66 SRC (0.41) CNR2SRCHTR6HTR1ADRD2
SCHEMBL12093313 0.64 HTR6 (0.70) SRCHTR6TSHRHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 — — US disclosed
US-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX CLEAVE BIOSCIENCES, INC. (US) 2016-10-20 — — US disclosed
EP-3080101-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX Cleave Biosciences, Inc. (US) 2016-10-19 — — EP disclosed
WO-2015089218-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX WUSTROW DAVID (US) 2015-06-18 — — 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-20160304495-A1 MONOCYCLIC PYRIMIDINE/PYRIDINE COMPOUNDS AS INHIBITORS OF P97 COMPLEX PSMG3, PSMD2, PSME1 CNR2 4363/4885SRC 2977/4885PPME1 420/4885

“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.

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