SCHEMBL2788166

SCHEMBL2788166

CCC(C)Nc1cc(Cl)cc2nc(NC(=O)c3ccc(CN4CCOCC4)cc3)nn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ F10 P00742 1/20 0.45
▸ HIF1A Q16665 4/20 0.45
▸ EPAS1 Q99814 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 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
SCHEMBL2771699 0.77 MAP3K5 (0.50) RAB9ANPC1SMN1; SMN2MAPK1TSHR
SCHEMBL2789908 0.74 HCAR3 (0.39) RAB9ANPC1SMN1; SMN2MAPTJAK2
SCHEMBL2771078 0.73 JAK1 (0.57) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
SCHEMBL3020705 0.70 HIF1A (0.58) HIF1AEPAS1SMN1; SMN2MAPTSTAT3
SCHEMBL2790048 0.68 MAP3K5 (0.53) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL21024443 0.67 RAB9A (1.00) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
SCHEMBL28648364 0.67 RAB9A (1.00) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
Hydrochloric Acid SCHEMBL31072329 0.66 RAB9A (0.97) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
Hydrochloric Acid SCHEMBL31072327 0.66 RAB9A (0.97) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
Hydrochloric Acid SCHEMBL31072328 0.66 RAB9A (0.97) RAB9ANPC1HIF1AEPAS1SMN1; 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 15 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-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 RAB9A 2804/4885NPC1 3042/4885F10 4705/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 RAB9A 2804/4885NPC1 3042/4885F10 4705/4885

“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.

Send feedback