SCHEMBL5262144

SCHEMBL5262144

NC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
PIK3CA P42336 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
AKT2 P31751 3/20 0.41
KIT P10721 3/20 0.41
GSK3B P49841 2/20 0.41
KCNH2 Q12809 1/20 0.39
RBP4 P02753 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
ADRB1 P08588 1/20 0.37
PRKCA P17252 2/20 0.36
PRKCQ Q04759 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
FLT3 P36888 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL13853243 0.82 ADRB1 (0.58) ADRB1CYP1A2
SCHEMBL13853253 0.80 AKT2 (0.50) CYP2C19PIK3CAAKT2KITGSK3B
SCHEMBL5264013 0.78 ADRB1 (0.53) HRH3ROCK2ROCK1ADRB1TLR7
SCHEMBL1994796 0.75 ADRB1 (0.64) HRH3RBP4ADRB1
SCHEMBL17844894 0.75 AKT2 (0.47) HRH3AKT2KITGSK3BCHEK1
SCHEMBL3820910 0.74 GRM2 (0.45) KCNH2CYP1A2CYP2D6KDM1A
SCHEMBL4015416 0.71 HRH4 (0.63) HRH3AKT2KITGSK3BDPP4
SCHEMBL17844929 0.70 HRH3 (0.47) CYP2C19PIK3CAHRH3AKT2KIT
Hydrochloric Acid SCHEMBL5224755 0.70 KDM1A (0.45) CYP2C19PIK3CAKCNH2KDM1A
SCHEMBL1349136 0.70 EPHX2 (0.64) HRH3GSK3BRBP4PRKCAPRKCQ

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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK CYP2C19 29/4885PIK3CA 241/4885HRH3 502/4885

“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.