SCHEMBL4486722

SCHEMBL4486722

CCCCc1nn2ncccc2c1C(=O)/C=C/N(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
HTT P42858 4/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK4 P11802 2/20 0.37
RECQL P46063 1/20 0.35
POLB P06746 3/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DYRK1A Q13627 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4486726 1.00 KDR (0.42) KDRHTTMAPTALDH1A1NPC1
SCHEMBL4479153 0.89 TDP1 (0.42) KDRHTTMAPTALDH1A1NPC1
SCHEMBL4479149 0.89 TDP1 (0.42) KDRHTTMAPTALDH1A1NPC1
SCHEMBL4479972 0.81 KDR (0.45) KDRHTTALDH1A1NPC1RAB9A
SCHEMBL4471179 0.80 TDP1 (0.44) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL4471173 0.80 TDP1 (0.44) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL4467387 0.76 POLB (0.52) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL4485374 0.76 POLB (0.52) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL4468006 0.75 TDP1 (0.40) HTTMAPTALDH1A1NPC1RAB9A
SCHEMBL4468009 0.75 TDP1 (0.40) HTTMAPTALDH1A1NPC1RAB9A

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 KDR 2097/4885HTT 3351/4885MAPT 3334/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP KDR 4710/4885HTT 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.