SCHEMBL4467390

SCHEMBL4467390

CN(C)C=CC(=O)c1c(C2CCCCC2)nn2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 2/20 0.34
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL4467383 1.00 TDP1 (0.38) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4468006 0.94 TDP1 (0.40) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4468009 0.94 TDP1 (0.40) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4471815 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2POLB
SCHEMBL4471173 0.79 TDP1 (0.44) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4471179 0.79 TDP1 (0.44) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4479153 0.76 TDP1 (0.42) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4479149 0.76 TDP1 (0.42) TDP1HTTMAPTALDH1A1LMNA
SCHEMBL4480362 0.76 GSK3B (0.43) ALDH1A1MEN1KMT2ACDK2GSK3B
SCHEMBL4467387 0.75 POLB (0.52) TDP1HTTMAPTALDH1A1MEN1

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-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP TDP1 1344/4885HTT 3314/4885MAPT 461/4885

“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.