SCHEMBL4142105

SCHEMBL4142105

Cc1ccc(-n2c(=O)[nH]c3cc(C)c(=O)n(C)c32)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
DAO P14920 3/20 0.36
HPD P32754 2/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1B P35368 1/20 0.33
OPRM1 P35372 1/20 0.33
AURKA O14965 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL486496 0.88 MAP2K1 (0.39) DAOMAPK13MAPK12MAPK11MAPK14
SCHEMBL486397 0.77 CASP3 (0.35) DAOMAPK13MAPK12MAPK11MAPK14
SCHEMBL27093435 0.73 MAP2K1 (0.38) MAPK13MAPK12MAPK11MAPK14NOX4
SCHEMBL22583745 0.73 AURKA (0.55) DAOLMNAKMT2AAURKAGABRP
SCHEMBL4146815 0.70 LMNA (0.34) HPDLMNAKDM4ETP53HPGD
SCHEMBL19050790 0.67 MAPK13 (0.39) NPSR1DAOHPDMAPK13MAPK12
SCHEMBL8898752 0.67 BCAT1 (0.58)
SCHEMBL31393253 0.63 NPSR1 (0.50) NPSR1LMNAKDM4EALDH1A1TP53
SCHEMBL8305608 0.63 SCN9A (0.42) NPSR1KDM4EALDH1A1HPGDKMT2A
SCHEMBL8311544 0.63 ALDH1A1 (0.46) NPSR1DAOHPDALDH1A1HPGD

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-8673919-B2 Dihydropyridin sulfonamides and dihydropyridin sulfamides as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2014-03-18 US disclosed
US-20120107307-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC. (US) 2012-05-03 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-20120107307-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS BRAF, NRAS, MAP3K12 NPSR1 1911/4885DAO 2459/4885HPD 1027/4885

“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.