SCHEMBL1182175

SCHEMBL1182175

O=C(O)Nc1ccc2c(c1)N=CCN2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.31
RAB9A P51151 6/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
TLK2 Q86UE8 1/20 0.31
KMT2A Q03164 3/20 0.31
JAK2 O60674 2/20 0.31
MEN1 O00255 2/20 0.31
GRM4 Q14833 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
PKM P14618 1/20 0.30
JAK1 P23458 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL30509173 0.68 HTR5A (0.35) KMT2AMAPT
SCHEMBL29790265 0.67 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL30164311 0.65 PDE3B (0.41) NPC1RAB9AROCK1TLK2KMT2A
SCHEMBL691153 0.65 MAPT (0.60) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3060475 0.64 ACVRL1 (0.34) NPC1RAB9AKMT2AJAK2MEN1
SCHEMBL4583081 0.64 NPC1 (0.34) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL29419088 0.63 ALDH1A1 (0.32) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10778839 0.63 SMN1; SMN2 (0.52) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL18167981 0.62 JAK2 (0.52) JAK2JAK1
SCHEMBL578342 0.62 SMYD3 (0.61) TLK2PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893066-B2 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders GILEAD PALO ALTO, INC. (US) 2011-02-22 US disclosed
US-20080255130-A1 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders GILEAD PALO ALTO, INC. 2008-10-16 US 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 (1 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-20080255130-A1 N-[2-(6-{[(3,4-dichlorophenyl)methyl]amino}-2-(4-methoxyphenyl)-3-oxo-4-hydropyridino[2,3-b]pyrazin-4-yl)ethyl]acetamide derivatives; antidiabetic agents; abnormal lipid levels, obesity; cardiovascular, skin and metabolic disorders SCD, SCD5, FASN NPC1 486/4885RAB9A 4180/4885ROCK2 3433/4885

“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.