SCHEMBL4217675

SCHEMBL4217675

CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 1.00
ALOX15 P16050 2/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
LMNA P02545 3/20 0.76
HIF1A Q16665 1/20 0.76
TP53 P04637 5/20 0.70
POLB P06746 4/20 0.67
MAPT P10636 5/20 0.66
HSD17B10 Q99714 1/20 0.64
KCNN3 Q9UGI6 1/20 0.58
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4218566 0.86 LMNA (1.00) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL4215477 0.83 TP53 (1.00) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL4212917 0.81 TP53 (0.80) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL25199209 0.81 TP53 (0.80) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL4219187 0.80 TP53 (0.79) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL4207502 0.80 TP53 (1.00) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL4207297 0.79 TP53 (0.71) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL25192044 0.78 POLB (0.74) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL4212697 0.76 KCNN3 (0.80) NPSR1ALOX15TSHRMAPK1SMN1; SMN2
SCHEMBL25182620 0.76 TP53 (0.70) NPSR1ALOX15TSHRMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036475-A1 Pyrazolyl-Pyrimidines as Potassium Channel Modulating Agents and Their Medical Use NEUROSEARCH A/S (DK) 2009-02-05 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-20090036475-A1 Pyrazolyl-Pyrimidines as Potassium Channel Modulating Agents and Their Medical Use KCND2, KCNJ2, KCNN3 NPSR1 706/4885ALOX15 4049/4885TSHR 2462/4885

“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.