SCHEMBL2687148

SCHEMBL2687148

Cn1nnc(-c2ccccc2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ADK P55263 1/20 0.38
ALDH1A1 P00352 5/20 0.38
BRD4 O60885 1/20 0.37
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KEAP1 Q14145 2/20 0.36
SLC9A1 P19634 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 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
SCHEMBL19715686 0.84 GABRA5 (0.37) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL12990170 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1ADORA1
SCHEMBL2683463 0.83 GABRA5 (0.46) PTGS2SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL15543509 0.76 CYP1A2 (0.38) PTGS2NPC1RAB9AALDH1A1GAA
SCHEMBL12523116 0.73 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KEAP1
SCHEMBL822713 0.73 KEAP1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1BRD4
SCHEMBL15636198 0.72 BRD4 (0.42) PTGS2SMN1; SMN2ADKALDH1A1BRD4
SCHEMBL17844431 0.72 NPC1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1BRD4
SCHEMBL16708689 0.71 POLB (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL4764875 0.71 KDR (0.52) PTGS2NPC1RAB9AADKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098545-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2025-05-15 WO disclosed
EP-4553080-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2025-05-14 EP disclosed
CN-103221402-B Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2015-06-17 CN disclosed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 PTGS2 2516/4885SMN1; SMN2 4703/4885NPC1 1073/4885

“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.