SCHEMBL1045273

SCHEMBL1045273

O=C(NCc1cccnc1)c1ccc(Nc2ccc(Cl)n3ncnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
CA2 P00918 1/20 0.47
NAMPT P43490 3/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL1046525 0.83 ROCK2 (0.50) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL1047988 0.81 ALDH1A1 (0.44) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL1045285 0.81 GAA (0.48) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL1476963 0.80 MEN1 (0.55) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL1475828 0.75 MAPKAPK5 (0.53) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL16286312 0.74 ALDH1A1 (0.76) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL11629091 0.74 KMT2A (0.80) HTTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1478134 0.73 MAPKAPK5 (0.55) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL1477799 0.72 GAA (0.48) HTTLMNAALDH1A1NPSR1KMT2A
SCHEMBL11630628 0.72 ALDH1A1 (0.76) HTTLMNAALDH1A1NPSR1KMT2A

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 10 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
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
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
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US 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 HTT 959/4885LMNA 906/4885ALDH1A1 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.