SCHEMBL1046689

SCHEMBL1046689

CN(C)/C=N\c1nc(Cl)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
GAA P10253 4/20 0.39
GLA P06280 2/20 0.39
HSD17B10 Q99714 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
HBB P68871 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL1046690 1.00 MAPT (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL12424137 1.00 MAPT (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL29756159 0.81 KMT2A (0.37) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL26963121 0.81 KMT2A (0.37) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL23854722 0.79 MAPT (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL12424139 0.79 MAPT (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL23854723 0.79 MAPT (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL26963124 0.74 CYP1A2 (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL27133745 0.74 CYP1A2 (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL31330031 0.72 KMT2A (0.39) MAPTKDM4EALDH1A1KMT2AMEN1

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-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 MAPT 1242/4885KDM4E 3161/4885ALDH1A1 1145/4885

“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.