SCHEMBL2788780

SCHEMBL2788780

O=C(Nc1nc2cc(Cl)cc(Cl)n2n1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.54
▸ TDP2 O95551 1/20 0.53
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ KCNMA1 Q12791 1/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ IKBKB O14920 1/20 0.44

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
SCHEMBL2789560 0.89 TDP1 (0.54) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2785921 0.86 MAP3K5 (0.70) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2773629 0.86 TDP2 (0.52) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2790048 0.84 MAP3K5 (0.53) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2807203 0.83 MAP3K5 (0.75) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2772909 0.82 MAP3K5 (0.70) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2790272 0.82 MAP3K5 (0.70) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2771699 0.81 MAP3K5 (0.50) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL2788349 0.81 MAP3K5 (0.69) MAP3K5TDP2MEN1KMT2AKCNMA1
SCHEMBL12317259 0.77 MAP3K5 (0.61) MAP3K5TDP2MEN1KMT2AKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US claimed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US claimed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP claimed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO claimed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — 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 (2 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885TDP2 57/4885MEN1 3192/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885TDP2 57/4885MEN1 3192/4885

“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.

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