SCHEMBL4871886

SCHEMBL4871886

Fc1ccc(Nc2ncnc3c2CCNC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
MKNK1 Q9BUB5 1/20 0.45
FGFR1 P11362 1/20 0.44
RAF1 P04049 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
TTBK1 Q5TCY1 2/20 0.40
TTBK2 Q6IQ55 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
AURKA O14965 1/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL2846233 0.89 MKNK1 (0.45) HTR2AHTR2CMKNK1FGFR1RAF1
SCHEMBL4868221 0.86 HTR2A (0.48) HTR2AHTR2CMAPK1EGFRMEN1
SCHEMBL4871515 0.85 TRPV1 (0.57) EGFRTRPV1TTBK1
SCHEMBL4728478 0.83 TRPV1 (0.52) TRPV1METKDR
SCHEMBL4868312 0.82 APP (0.41) TRPV1
SCHEMBL4863642 0.82 KDR (0.41) HTR2AHTR2CMKNK1MAPTKMT2A
SCHEMBL4864806 0.80 PIP4K2A (0.50) TRPV1KDR
SCHEMBL5823709 0.80 CD274 (0.43) HTR2AHTR2CGAAMAPTMAPK1
SCHEMBL10959251 0.80 HTT (0.56) MKNK1FGFR1RAF1GAAMAPT
SCHEMBL18910920 0.80 DYRK1A (0.43) MAPTEGFRAURKAMETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP disclosed
US-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction EVOTEC AG (DE) 2005-09-29 US disclosed
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 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 (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-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction PARK7, PTGIS, PTGES HTR2A 645/4885HTR2C 520/4885MKNK1 1430/4885

“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.