SCHEMBL16571396

SCHEMBL16571396

COc1ccc(-c2cc(C#N)cc3cc(C(N)=O)[nH]c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PIM1 P11309 2/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ GRM2 Q14416 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL19478336 0.88 GRM2 (0.38) GRM2PARP1PLA2G2AALOX15PTGS2
SCHEMBL16571180 0.88 SLC22A12 (0.42) GRM2PARP1SLC22A12XDHCHEK2
SCHEMBL16571038 0.87 MAPK14 (0.42) ALDH1A1PIM1PRKAB2PRKAG1PRKAA2
SCHEMBL19478158 0.87 GRM2 (0.45) GRM2SLC22A12XDHCHEK2
SCHEMBL19478363 0.85 SCN9A (0.41) GRM2PARP1SCN9ASLC22A12XDH
SCHEMBL16571054 0.85 NTRK1 (0.40) KMT2ASCN9ASLC22A12XDHCHEK2
SCHEMBL16571739 0.84 XDH (0.40) GRM2PARP1PTGS2SCN9AMAPK14
SCHEMBL16571716 0.84 MAP2 (0.43) ALDH1A1NPSR1GRM2PARP1MEN1
SCHEMBL19478335 0.84 SLC22A12 (0.38) GRM2PARP1SLC22A12XDH
SCHEMBL16571408 0.83 IKBKB (0.40) GRM2PARP1SLC22A12XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP claimed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US claimed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US claimed
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
EP-3044207-B1 INDOL-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
US-9464049-B2 Indole-carboxamides HOFFMANN-LA ROCHE INC. (US) 2016-10-11 — — US disclosed
EP-3044207-A1 INDOL-CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-20 — — EP disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185721-A1 INDOLE-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — 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-20160185721-A1 INDOLE-CARBOXAMIDES DRD2, HCRTR1, CDR2 ALDH1A1 763/4885NPSR1 33/4885L3MBTL1 479/4885

“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.

Send feedback