SCHEMBL6071763

SCHEMBL6071763

Clc1ncnc2c1cnn2-c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
CYP1A2 P05177 3/20 0.48
CYP17A1 P05093 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 7/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 5/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL6071455 0.82 GSK3B (0.51) GSK3BCYP1A2CYP17A1SMN1; SMN2ALDH1A1
SCHEMBL3879803 0.82 CYP1A2 (0.54) GSK3BCYP1A2CYP17A1ALDH1A1LMNA
SCHEMBL6072074 0.78 GSK3B (0.60) GSK3BCYP1A2CYP17A1SMN1; SMN2ALDH1A1
SCHEMBL12000878 0.74 ALDH1A1 (0.41) CYP1A2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6071871 0.72 GSK3B (0.53) GSK3BCYP1A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL30034914 0.70 ALDH1A1 (0.67) CYP1A2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL2077026 0.70 ALDH1A1 (0.67) CYP1A2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL11476904 0.70 RAB9A (0.63) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL839539 0.70 XDH (0.38) CYP1A2CYP17A1SMN1; SMN2ALDH1A1LMNA
SCHEMBL840321 0.70 GSK3B (0.52) GSK3BCYP1A2CYP17A1SMN1; SMN2ALDH1A1

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-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-07-27 US disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 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-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors MAP3K12, MAP3K5, MAP3K2 GSK3B 591/4885CYP1A2 2619/4885CYP17A1 4555/4885

“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.