SCHEMBL2053853

SCHEMBL2053853

CCCCCc1ccn2ccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 2/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CYP19A1 P11511 3/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL22503036 0.81 ALDH1A1 (0.38) ALDH1A1RAB9AKDM4EGAAPKM
SCHEMBL2053852 0.76 KDM4E (0.52) ALDH1A1RAB9AKDM4EGLAGAA
SCHEMBL5772646 0.74 NPC1 (0.38) ALDH1A1RAB9AKDM4EGLAGAA
SCHEMBL5771074 0.74 CCR1 (0.38) ALDH1A1RAB9AKDM4EGLAGAA
SCHEMBL6217690 0.73 HPGD (0.41) ALDH1A1RAB9AKDM4EGLAGAA
SCHEMBL19817523 0.73 ALDH1A1 (0.35) ALDH1A1RAB9AKDM4EGAAPKM
SCHEMBL9722892 0.69 KCNH2 (0.53) KCNH2TLR7TLR8CYP19A1KDM5A
SCHEMBL27845677 0.68 KCNH2 (0.56) KCNH2ALDH1A1KDM4ECYP19A1TDP1
SCHEMBL27972324 0.68 KCNH2 (0.56) KCNH2ALDH1A1KDM4ECYP19A1TDP1
SCHEMBL5492183 0.68 TLR7 (0.46) KCNH2TLR7TLR8L3MBTL1

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
US-20110150961-A1 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2011-06-23 US disclosed
EP-2254640-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2010-12-01 EP disclosed
WO-2009105484-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2009-08-27 WO disclosed
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 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-20110150961-A1 ANTI-INFECTIVE CATHETERS NACA, PUF60, POLR1C KCNH2 1124/4885TLR7 407/4885TLR8 191/4885

“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.