SCHEMBL10318178

SCHEMBL10318178

Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
HCRTR1 O43613 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 1/20 0.51
CD38 P28907 1/20 0.51
HPGD P15428 2/20 0.50
APEX1 P27695 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 1/20 0.48
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL10320309 0.88 PPARG (0.57) NPC1LMNAMEN1KMT2APPARG
Hydrochloric Acid SCHEMBL10324856 0.86 PPARG (0.56) NPC1LMNAMEN1KMT2APPARG
SCHEMBL10322933 0.86 HDAC8 (0.56) MEN1KMT2APPARGHPGDALDH1A1
SCHEMBL10320558 0.86 ALDH1A1 (0.67) LMNAPPARGHPGDALDH1A1CA2
SCHEMBL10318179 0.85 NPC1 (0.55) NPC1LMNAMEN1HCRTR1KMT2A
SCHEMBL15276210 0.82 APEX1 (0.58) NPC1LMNAMEN1HCRTR1KMT2A
SCHEMBL13947495 0.80 NPC1 (0.61) NPC1MEN1HCRTR1KMT2AAPEX1
SCHEMBL30462959 0.80 NPC1 (0.61) NPC1MEN1HCRTR1KMT2AAPEX1
SCHEMBL5332860 0.80 NPC1 (0.72) NPC1MEN1KMT2AHPGDAPEX1
SCHEMBL10321484 0.79 TP53 (0.59) LMNAKMT2APPARGALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US claimed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US claimed
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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 (3 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA NPC1 344/4885LMNA 4174/4885MEN1 2323/4885
US-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD NPC1 1780/4885LMNA 1119/4885MEN1 1193/4885
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 NPC1 29/4885LMNA 182/4885MEN1 68/4885

“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.