SCHEMBL5864447

SCHEMBL5864447

Nc1ccc2cnn(Cc3ccccn3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
AGTR1 P30556 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5864200 0.82 CFTR (0.48) LMNAALDH1A1MAPK1TDP1PKM
SCHEMBL5863967 0.81 TDP1 (0.56) LMNAALDH1A1MAPK1TDP1PKM
SCHEMBL938232 0.80 ERBB2 (0.53) EGFRERBB2GRIN1GRIN2BSYK
SCHEMBL5864100 0.79 ALDH1A1 (0.47) LMNAALDH1A1MAPK1TDP1
SCHEMBL20786950 0.79 ALDH1A1 (0.48) LMNAALDH1A1MAPK1TDP1EGFR
SCHEMBL5864063 0.77 ALDH1A1 (0.51) LMNAALDH1A1TDP1EGFRERBB2
SCHEMBL14965879 0.71 PTGS2 (0.37) ALDH1A1TDP1PKMKMT2ANPC1
SCHEMBL28899162 0.71 NPBWR1 (0.56) ALDH1A1TDP1PKM
SCHEMBL14965798 0.70 BRD4 (0.43) ALDH1A1TDP1PKMNPC1MITF
SCHEMBL30918014 0.70 RECQL (0.60) ALDH1A1EGFRERBB2GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC LMNA 508/4885ALDH1A1 1345/4885MAPK1 2506/4885

“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.