SCHEMBL409061

SCHEMBL409061

Clc1c[nH]c(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
CBFB Q13951 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GSK3B P49841 1/20 0.42
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL28361909 0.74 KDM4E (0.54) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL15436293 0.73 KDM4E (0.48) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL5325012 0.73 KDM4E (0.59) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL1699769 0.71 KDM4E (0.93) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL29601520 0.71 KDM4E (0.93) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL143849 0.71 KDM4E (0.93) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL11910164 0.71 KDM4E (0.81) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL1960478 0.71 KDM4E (0.93) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL1982177 0.69 KDM4E (0.88) CCR1CCR5CCR8KDM4ELMNA
Dipyridyl SCHEMBL6036064 0.69 KDM4E (0.88) CCR1CCR5CCR8KDM4ELMNA

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 4 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-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

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 CCR1 3701/4885CCR5 2757/4885CCR8 3063/4885

“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.