SCHEMBL2790048

SCHEMBL2790048

CC(C)Nc1cc(Cl)cc2nc(NC(=O)c3cccnc3)nn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.53
▸ TDP2 O95551 1/20 0.47
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KCNMA1 Q12791 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41

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
SCHEMBL2771699 0.91 MAP3K5 (0.50) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2790924 0.89 MAP3K5 (0.54) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2812561 0.85 MAP3K5 (0.73) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2788780 0.84 MAP3K5 (0.54) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2790272 0.83 MAP3K5 (0.70) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2772909 0.83 MAP3K5 (0.70) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2807203 0.83 MAP3K5 (0.75) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2788349 0.83 MAP3K5 (0.69) MAP3K5TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2789550 0.80 MAP3K5 (0.51) MAP3K5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12317259 0.79 MAP3K5 (0.61) MAP3K5TDP2NPC1RAB9ASMN1; SMN2

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 14 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-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — 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-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

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 57/4885NPC1 3042/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885TDP2 57/4885NPC1 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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