SCHEMBL15577161

SCHEMBL15577161

COc1cccc(-n2ncc(C(=O)O)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
NOTUM Q6P988 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ADORA2B P29275 1/20 0.45
RPA1 P27694 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.42
NSD2 O96028 1/20 0.42

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
SCHEMBL15577134 0.84 ALDH1A1 (0.51) ADORA2AADORA1ALDH1A1HPGDKDM4E
SCHEMBL15578745 0.82 RPA1 (0.53) ADORA2AALDH1A1NOTUMALKBH5RPA1
SCHEMBL15577228 0.81 PKM (0.56) LMNAALDH1A1NOTUMKDM4EMAPT
SCHEMBL1752087 0.80 P2RX7 (0.53) ALDH1A1HPGDKDM4ERPA1RAB9A
SCHEMBL15577160 0.79 ADAMTS7 (0.49) NOTUMKDM4EMAPTRPA1RAB9A
SCHEMBL24921164 0.77 ADORA2A (0.49) ADORA2AADORA1LMNAALDH1A1NOTUM
SCHEMBL15578532 0.76 KMT2A (0.49) ALDH1A1HPGDNOTUMALKBH5RAB9A
SCHEMBL23354722 0.76 GRM5 (0.54) ALDH1A1NOTUM
SCHEMBL23023945 0.75 LMNA (0.51) LMNAALDH1A1HPGDNOTUMALKBH5
SCHEMBL1143841 0.75 RPA1 (0.57) LMNAALDH1A1HPGDNOTUMALKBH5

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-2895478-B1 TRIAZOLE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-9416127-B2 Triazole carboxamides and uses thereof HOFFMANN-LA ROCHE INC. (US) 2016-08-16 US disclosed
EP-2895478-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
US-20150191458-A1 TRIAZOLE CARBOXAMIDES AND USES THEREOF HOFFMANN-LA ROCHE INC. (US) 2015-07-09 US disclosed
WO-2014041106-A1 TRIAZOLE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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-20150191458-A1 TRIAZOLE CARBOXAMIDES AND USES THEREOF TAAR1, HCRTR1, TAAR5 ADORA2A 247/4885ADORA1 142/4885LMNA 2858/4885

“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.