SCHEMBL1204337

SCHEMBL1204337

CN(C)/C=N/c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.50
KDM4E B2RXH2 11/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 7/20 0.43
HTT P42858 1/20 0.43
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 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
SCHEMBL1204341 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL13810647 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL1355343 0.74 MAOA (0.46) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL1355341 0.74 MAOA (0.46) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL29897004 0.74 MAOA (0.46) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL11173815 0.74 L3MBTL1 (0.59) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL1283654 0.72 KDM4E (0.54) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL1283651 0.72 KDM4E (0.54) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL31208201 0.72 L3MBTL1 (0.65) ALDH1A1KDM4EL3MBTL1GAAHTT
SCHEMBL18497895 0.70 KDM4E (0.37) ALDH1A1KDM4EL3MBTL1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP disclosed
EP-1261607-B1 2,4-DISUBSTITUTED THIAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2008-11-12 EP disclosed
US-20060211704-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
US-7105550-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-12 US disclosed
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-30 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 (3 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-20060211704-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER3 ALDH1A1 1775/4885KDM4E 2474/4885L3MBTL1 3697/4885
US-20030203897-A1 2,4-Disubstituted thiazolyl derivatives IL4, PTGER4, PTGER1 ALDH1A1 1094/4885KDM4E 2524/4885L3MBTL1 4275/4885
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B ALDH1A1 637/4885KDM4E 4203/4885L3MBTL1 3955/4885

“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.