SCHEMBL6071871

SCHEMBL6071871

Clc1ncnc2c1cnn2-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EGFR P00533 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 4/20 0.48
GSK3A P49840 1/20 0.47

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
SCHEMBL30034914 0.85 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11476904 0.85 RAB9A (0.63) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2077026 0.85 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6071536 0.83 GSK3B (0.54) GSK3BKDM4EALDH1A1HSD17B10MEN1
SCHEMBL1243431 0.83 RAB9A (0.50) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL13387475 0.83 TP53 (0.59) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL6269930 0.83 XDH (0.68) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL3871613 0.81 KDM4E (0.74) GSK3BKDM4EALDH1A1HSD17B10MEN1
SCHEMBL2499455 0.79 XDH (0.71) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL838694 0.78 CYP17A1 (0.46) GSK3BCYP1A2RAB9AMAPTTP53

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-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-07-27 US disclosed
EP-1523314-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO 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 591/4885KDM4E 1432/4885ALDH1A1 2729/4885

“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.