SCHEMBL406356

SCHEMBL406356

O=S(=O)(c1cccc(Cl)c1)N1CCc2[nH]c3nc(Cl)ccc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.42
AKR1C3 P42330 4/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1C2 P52895 2/20 0.40
MMP2 P08253 1/20 0.40
GBA1 P04062 2/20 0.40
HTR6 P50406 3/20 0.39
HMOX1 P09601 1/20 0.37
MGLL Q99685 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL10139897 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTAKR1C3
SCHEMBL13284248 0.75 MAPT (0.40) MEN1KMT2AALDH1A1MAPTAKR1C3
SCHEMBL404730 0.73 ERBB2 (0.47) MEN1KMT2AALDH1A1
SCHEMBL409117 0.73 MAPT (0.45) MAPTAKR1C3HTR6HMOX1
SCHEMBL403561 0.73 MAPT (0.50) MAPTAKR1C3AKR1C1AKR1C2GBA1
SCHEMBL409007 0.71 MAPT (0.48) KMT2AALDH1A1MAPTHTR6
SCHEMBL2808596 0.68 MEN1 (0.45) MEN1KMT2AALDH1A1AKR1C3AKR1C1
SCHEMBL10726996 0.68 ALDH1A1 (0.86) MEN1KMT2AALDH1A1MMP2GBA1
SCHEMBL848429 0.67 KMT2A (0.73) MEN1KMT2AALDH1A1AKR1C3AKR1C1
SCHEMBL409053 0.67 PKM (0.47) MEN1KMT2AALDH1A1MAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US claimed
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

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 MEN1 3463/4885KMT2A 1887/4885ALDH1A1 4078/4885

“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.