SCHEMBL3851423

SCHEMBL3851423

CCCCCN.Nc1nccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.66
PLAU P00749 1/20 0.66
NCF1 P14598 1/20 0.66
NOS3 P29474 1/20 0.66
NOS1 P29475 1/20 0.66
NOS2 P35228 1/20 0.66
BACE1 P56817 1/20 0.66
TLR8 Q9NR97 12/20 0.52
ROCK1 Q13464 2/20 0.44
CYP2A6 P11509 1/20 0.43
HTR1B P28222 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL2344467 0.82 TLR8 (0.46) F12PLAUNCF1NOS3NOS1
SCHEMBL29377365 0.81 PLAU (1.00) F12PLAUNCF1NOS3NOS1
SCHEMBL49220 0.81 PLAU (1.00) F12PLAUNCF1NOS3NOS1
SCHEMBL28116864 0.79 PLAU (0.95) F12PLAUNCF1NOS3NOS1
Hydrochloric Acid SCHEMBL509104 0.79 PLAU (0.95) F12PLAUNCF1NOS3NOS1
Iodide SCHEMBL29988059 0.79 PLAU (0.95) F12PLAUNCF1NOS3NOS1
SCHEMBL27667726 0.77 ALDH1A1 (0.61) TLR8HTR1BMEN1ALDH1A1KMT2A
Naphthalene SCHEMBL5965913 0.75 DNM1 (0.57) TLR8MEN1ALDH1A1HTTKMT2A
SCHEMBL14853049 0.75 TLR8 (0.50) TLR8HTR1BKDM4EMEN1ALDH1A1
Naphthalene SCHEMBL11586730 0.73 DNM1 (0.62) TLR8MEN1ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
EP-1773817-B1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-08-26 EP disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 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-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB F12 582/4885PLAU 886/4885NCF1 1793/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 F12 124/4885PLAU 2462/4885NCF1 2240/4885

“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.