SCHEMBL4868221

SCHEMBL4868221

c1ccc(Nc2ncnc3c2CCNC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.48
HTR2C P28335 5/20 0.48
HTR1A P08908 3/20 0.48
DRD2 P14416 3/20 0.48
HTR7 P34969 3/20 0.48
DRD3 P35462 3/20 0.48
HTR6 P50406 3/20 0.48
HTR2B P41595 2/20 0.48
ADRA1A P35348 1/20 0.48
EGFR P00533 9/20 0.46
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
ABL1 P00519 3/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
MAP4K2 Q12851 2/20 0.43
DYRK1A Q13627 2/20 0.43
PIM3 Q86V86 2/20 0.43
AURKB Q96GD4 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43

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
SCHEMBL2854741 0.88 EGFR (0.46) HTR2AHTR2CHTR1ADRD2HTR7
SCHEMBL4871886 0.86 HTR2A (0.47) HTR2AHTR2CEGFRTTBK1TTBK2
SCHEMBL4728478 0.82 TRPV1 (0.52) TRPV1
SCHEMBL4871515 0.82 TRPV1 (0.57) EGFRTTBK1TRPV1
SCHEMBL4871345 0.81 GRM4 (0.44) HTR2CTRPV1
SCHEMBL4863642 0.79 KDR (0.41) HTR2AHTR2CTTBK1TTBK2ROCK1
SCHEMBL5823709 0.79 CD274 (0.43) HTR2AHTR2CHTR2BTTBK1TTBK2
SCHEMBL10339770 0.78 POLB (0.56) EGFRTTBK1TTBK2ABL1MAP4K4
SCHEMBL4864806 0.78 PIP4K2A (0.50) TRPV1
SCHEMBL13522501 0.78 MAPT (0.53) EGFRROCK1ABCG2MAPK1MEN1

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 520/4885HTR1A 391/4885

“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.