SCHEMBL1629487

SCHEMBL1629487

COCOc1cc(-c2cn(C)nn2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ PSEN1 P49768 4/20 0.38
▸ PSEN2 P49810 4/20 0.38
▸ APH1B Q8WW43 4/20 0.38
▸ NCSTN Q92542 4/20 0.38
▸ APH1A Q96BI3 4/20 0.38
▸ PSENEN Q9NZ42 4/20 0.38
▸ MET P08581 1/20 0.37
▸ GSK3B P49841 8/20 0.36
▸ DYRK1A Q13627 8/20 0.36
▸ WNT1 P04628 6/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ QPCTL Q9NXS2 1/20 0.34

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
SCHEMBL22053089 0.84 KMO (0.44) BRD4PSEN1PSEN2APH1BNCSTN
SCHEMBL28434856 0.79 CYP19A1 (0.44) BRD4METNPC1RAB9AQPCT
SCHEMBL1631431 0.78 NPC1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL26835293 0.72 BRD4 (0.42) BRD4PSEN1PSEN2APH1BNCSTN
SCHEMBL1628889 0.72 MAPT (0.46) GSK3BDYRK1AWNT1NPC1EGFR
SCHEMBL17795637 0.72 GSK3B (0.46) GSK3BDYRK1AWNT1KCNH2KMO
SCHEMBL25589659 0.71 ALDH1A1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22052731 0.71 NPC1 (0.40) BRD4PSEN1PSEN2APH1BNCSTN
SCHEMBL22040204 0.69 PSEN1 (0.37) BRD4PSEN1PSEN2APH1BNCSTN
SCHEMBL29132951 0.69 NR1I2 (0.42) BRD4METGSK3BDYRK1AWNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 — — US disclosed
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 — — US disclosed
US-7932390-B2 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2011-04-26 — — US disclosed
EP-2038288-B1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 — — EP disclosed
EP-2038288-A1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENOÝ3,2¨PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 — — EP disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 — — US disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 — — US disclosed
US-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives CHEN YI 2008-01-10 — — US disclosed
WO-2008000697-A1 NOVEL 4-AMINO-3-(-AZOLYL-PHENOXYMETHYL)-THIENO[3,2]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 — — 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-20080009515-A1 Substituted thieno[3,2-C]pyridine carboxylic acid derivatives UQCRB, UQCRC2, AURKB BRD4 541/4885PSEN1 4672/4885PSEN2 4169/4885

“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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