SCHEMBL3068154

SCHEMBL3068154

COc1ccccc1-n1c(C)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.66
▸ RPS6KB1 P23443 1/20 0.59
▸ ROCK1 Q13464 1/20 0.59
▸ PTGS2 P35354 1/20 0.57
▸ MAPK1 P28482 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ TP53 P04637 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ AVPR2 P30518 1/20 0.49
▸ AVPR1A P37288 1/20 0.49
▸ VCP P55072 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL19486460 0.84 TSHR (0.82) TSHRMAPK1HTTTP53SMN1; SMN2
SCHEMBL7474746 0.83 RPS6KB1 (0.54) TSHRRPS6KB1ROCK1PTGS2HTT
SCHEMBL15228163 0.82 HCAR1 (0.62) TSHRRPS6KB1ROCK1PTGS2MAPK1
SCHEMBL15228167 0.81 TSHR (0.57) TSHRRPS6KB1ROCK1PTGS2MAPK1
SCHEMBL13052935 0.80 TSHR (0.74) TSHRMAPK1HTTTP53SMN1; SMN2
SCHEMBL15605424 0.80 TSHR (1.00) TSHRMAPK1HTTTP53SMN1; SMN2
SCHEMBL13080878 0.79 TSHR (0.73) TSHRMAPK1HTTTP53SMN1; SMN2
SCHEMBL22507414 0.78 TSHR (0.72) TSHRMAPK1HTTTP53LMNA
SCHEMBL2686599 0.77 NPC1 (0.58) TSHRPTGS2MAPK1TP53SMN1; SMN2
SCHEMBL25277518 0.77 TSHR (0.70) TSHRMAPK1HTTTP53SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 — — US claimed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 — — EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 — — US claimed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 — — US disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 — — US disclosed
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 — — US disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 — — EP disclosed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 — — EP disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 — — US disclosed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 — — EP disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 — — WO disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 — — 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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB TSHR 1319/4885RPS6KB1 1342/4885ROCK1 2811/4885

“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.

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