SCHEMBL13853253

SCHEMBL13853253

NC1CCN(c2ncnc3nc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 7/20 0.50
GSK3B P49841 2/20 0.50
KIT P10721 1/20 0.50
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PAK1 Q13153 4/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3CA P42336 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
RPS6KB1 P23443 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
SUV39H1 O43463 2/20 0.38
PRMT1 Q99873 2/20 0.38
SMYD3 Q9H7B4 2/20 0.38
LCK P06239 1/20 0.38
PAK3 O75914 1/20 0.37
PAK2 Q13177 1/20 0.37

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
SCHEMBL13853250 0.82 ADRB1 (0.51) CYP2C19CYP1A2CYP2D6
SCHEMBL5262144 0.80 CYP2C19 (0.43) AKT2GSK3BKITCHEK1CHEK2
SCHEMBL3820910 0.74 GRM2 (0.45) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5224755 0.73 KDM1A (0.45) CYP2C19PIK3CA
SCHEMBL1994796 0.70 ADRB1 (0.64) PAK1
SCHEMBL13853257 0.70 ADK (0.44) GSK3BCHEK1JAK2JAK3PIK3CA
Hydrochloric Acid SCHEMBL5220463 0.69 KIT (0.45) KIT
SCHEMBL5262734 0.69 ALDH1A1 (0.43)
SCHEMBL2798904 0.68 LMNA (0.71) AKT2GSK3BKITCYP1A2CYP2D6
SCHEMBL4492813 0.68 DHFR (0.56) CYP2C19PIK3CA

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-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

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 AKT2 3540/4885GSK3B 673/4885KIT 518/4885

“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.