SCHEMBL2772977

SCHEMBL2772977

O=C(Cl)c1ccc(CN2CCCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
HRH3 Q9Y5N1 1/20 0.55
WDR91 A4D1P6 2/20 0.52
ACACB O00763 1/20 0.50
RAB9A P51151 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
F10 P00742 1/20 0.46
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIA2 P42262 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL2774412 0.89 L3MBTL1 (0.66) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL1254047 0.87 L3MBTL1 (0.69) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL11200681 0.86 L3MBTL1 (0.76) L3MBTL1HRH3WDR91ACACBTSHR
SCHEMBL20702426 0.86 L3MBTL1 (0.58) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL12639945 0.83 L3MBTL1 (0.62) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL24920313 0.82 WDR91 (0.57) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL22042582 0.82 RAB9A (0.57) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL24754398 0.82 L3MBTL1 (0.54) L3MBTL1HRH3WDR91ACACBRAB9A
SCHEMBL13853398 0.81 L3MBTL1 (0.65) L3MBTL1HRH3WDR91ACACBTSHR
SCHEMBL9293223 0.81 L3MBTL1 (0.65) L3MBTL1HRH3WDR91ACACBTSHR

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 5 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 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
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 L3MBTL1 4658/4885HRH3 2386/4885WDR91 196/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 L3MBTL1 4658/4885HRH3 2386/4885WDR91 196/4885

“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.