SCHEMBL2789556

SCHEMBL2789556

Cc1c(Br)ccc2nc(NC(=O)c3cccnc3)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.56
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MAP3K5 Q99683 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 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
SCHEMBL2774570 0.82 MAP3K5 (0.51) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL2771164 0.79 NPC1 (0.52) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL2788397 0.79 MAP3K5 (0.55) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL2773629 0.78 TDP2 (0.52) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL2788075 0.77 PIK3CA (0.54) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL2789560 0.76 TDP1 (0.54) HSD17B10RAB9ANPC1MAP3K5HPGD
Hydrochloric Acid SCHEMBL2771803 0.76 PIK3CA (0.53) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL12317224 0.76 MAP3K5 (0.47) HSD17B10RAB9ANPC1MAP3K5HPGD
Hydrochloric Acid SCHEMBL2772969 0.75 MAP3K5 (0.46) HSD17B10RAB9ANPC1MAP3K5HPGD
SCHEMBL2788780 0.74 MAP3K5 (0.54) HSD17B10RAB9ANPC1MAP3K5HPGD

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-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-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 HSD17B10 4398/4885RAB9A 2804/4885NPC1 3042/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 HSD17B10 4398/4885RAB9A 2804/4885NPC1 3042/4885

“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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