SCHEMBL405845

SCHEMBL405845

[NH]c1c(Cl)ccc2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
EPHB4 P54760 7/20 0.36
ACVRL1 P37023 4/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
AOC3 Q16853 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NQO2 P16083 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAOB P27338 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25166001 0.75 AOC3 (0.42) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
SCHEMBL30329773 0.75 AOC3 (0.42) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
SCHEMBL30072905 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
SCHEMBL4499174 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL174080 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
Hydrochloric Acid SCHEMBL5090020 0.73 TXNRD1 (0.36) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
SCHEMBL12593453 0.71 AOC3 (0.44) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
SCHEMBL27192092 0.71 ACVRL1 (0.36) TXNRD1TXNRD3TXNRD2EPHB4ACVRL1
SCHEMBL352307 0.70 ABCG2 (0.50) TXNRD1TXNRD3TXNRD2EPHB4ABCG2
SCHEMBL3275768 0.69 DPP4 (0.46) TXNRD1TXNRD3TXNRD2ACVRL1AOC3

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-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US claimed
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP claimed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO claimed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
EP-2367822-A1 TRICYCLIC AZAINDOLES Merck Patent GmbH (DE) 2011-09-28 EP disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 WO disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 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-20120022060-A1 Tricyclic Azaindoles AZI2, DCK, PPP2CA TXNRD1 2622/4885TXNRD3 3737/4885TXNRD2 2543/4885

“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.