SCHEMBL2173401

SCHEMBL2173401

O=C(Nc1cccnc1)c1n[nH]c2c1COc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
NAMPT P43490 4/20 0.46
WNT1 P04628 3/20 0.46
DYRK1A Q13627 3/20 0.46
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 2/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2172661 0.80 CDK2 (0.54) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL2173548 0.80 FLT3 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2548371 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6644918 0.79 CDK2 (0.54) MEN1KMT2AMAPTSMN1; SMN2ROCK2
SCHEMBL2171482 0.76 KDM4E (0.59) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL2176261 0.76 GRM5 (0.46) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL30290797 0.75 KDM4E (0.51) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL2171311 0.72 ALDH1A1 (0.45) KMT2ATDP1ALDH1A1NPC1RAB9A
SCHEMBL6647420 0.70 ROCK2 (0.45) MEN1KMT2AWNT1DYRK1AALDH1A1
SCHEMBL2175776 0.70 NPC1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US claimed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP claimed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO claimed
US-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2011-10-27 US disclosed
EP-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP disclosed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 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-20110263588-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GRM5, GRM1, GRM3 MEN1 4701/4885KMT2A 1449/4885TDP1 2656/4885

“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.