SCHEMBL9895332

SCHEMBL9895332

Cc1nnn(-c2ccccc2F)c1-c1cn(-c2ccc(C(=O)O)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.38
MAPK14 Q16539 2/20 0.35
LMNA P02545 1/20 0.34
NOTUM Q6P988 1/20 0.34
LDHA P00338 1/20 0.33
GCG P01275 1/20 0.33
RARG P13631 2/20 0.32
RORC P51449 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
GCK P35557 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 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
SCHEMBL9895495 0.91 SPR (0.37) SPRMAPK14
SCHEMBL9894897 0.90 MAPT (0.43) SPRMAPK14LMNAALDH1A1
SCHEMBL9896773 0.87 GABRA5 (0.37) SPRGCGPSEN1PSEN2APH1B
SCHEMBL9904098 0.87 PTGS2 (0.37) SPRNOTUMALDH1A1NPSR1KDM4A
SCHEMBL21416227 0.85 ALDH1A1 (0.45) LMNAALDH1A1
SCHEMBL9895387 0.84 CNR2 (0.40) SPR
SCHEMBL9896578 0.84 LMNA (0.38) SPRMAPK14LMNALDHAKDM4A
SCHEMBL9894508 0.84 CYP2C9 (0.44) MAPK14
SCHEMBL9895824 0.83 GABRA5 (0.39) SPRMAPK14
SCHEMBL9894812 0.83 MAPK8 (0.40) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 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-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 SPR 2850/4885MAPK14 4554/4885LMNA 4285/4885

“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.