SCHEMBL2789454

SCHEMBL2789454

CC(C)Nc1cc(C(F)(F)F)cc2nc(NC(=O)c3ccc(NCCN)nc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.47
▸ GCG P01275 5/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ GCGR P47871 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ DEGS1 O15121 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL2774279 0.84 MAP3K5 (0.55) MAP3K5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2790152 0.84 MAP3K5 (0.52) MAP3K5JAK2ADORA3ADORA2AADORA1
SCHEMBL2812561 0.79 MAP3K5 (0.73) MAP3K5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3020705 0.78 HIF1A (0.58) MAP3K5LCKSRCKDR
SCHEMBL2788032 0.77 MAP3K5 (0.65) MAP3K5PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2811182 0.74 MAP3K5 (0.51) MAP3K5JAK2ADORA3ADORA2AADORA1
SCHEMBL2787990 0.73 MAP3K5 (0.68) MAP3K5TRPA1
SCHEMBL2811042 0.72 MAP3K5 (0.69) MAP3K5TRPA1
SCHEMBL1236023 0.72 PTGS1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2789908 0.71 HCAR3 (0.39) MAP3K5JAK2HCAR3

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 16 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-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
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 1/4885GCG 1581/4885PRKAB2 742/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885GCG 1581/4885PRKAB2 742/4885

“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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