SCHEMBL4471179

SCHEMBL4471179

Cc1nn2ncccc2c1C(=O)C=CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
HTT P42858 3/20 0.42
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DYRK1A Q13627 1/20 0.41
RECQL P46063 2/20 0.41
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL4471173 1.00 TDP1 (0.44) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4479153 0.84 TDP1 (0.42) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4479149 0.84 TDP1 (0.42) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4485374 0.83 POLB (0.52) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4467387 0.83 POLB (0.52) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4468006 0.82 TDP1 (0.40) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4468009 0.82 TDP1 (0.40) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4469564 0.80 PTGS2 (0.51) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4486722 0.80 KDR (0.42) TDP1HTTRAB9AALDH1A1POLB
SCHEMBL4469574 0.80 PTGS2 (0.51) TDP1HTTRAB9AALDH1A1POLB

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 7 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-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP 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
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US 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 (2 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-20050090507-A1 Pyrazolopyridazine derivatves CDK4, CDK3, CDK8 TDP1 280/4885HTT 3351/4885RAB9A 2004/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP TDP1 1344/4885HTT 3314/4885RAB9A 2488/4885

“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.