Sugi Predict

Sugi Predict / Compounds / SCHEMBL4474513

SCHEMBL4474513

SCHEMBL4474513

COc1ccc2c(C(=O)/C=C/N(C)C)cnn2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.43
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 5/20 0.39
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ RECQL P46063 2/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL4474522 1.00 DYRK1A (0.43) DYRK1AMAPTALDH1A1HPGDLMNA
SCHEMBL4468789 0.87 CDK4 (0.37) MAPTALDH1A1HPGDLMNAHTT
SCHEMBL4468783 0.87 CDK4 (0.37) MAPTALDH1A1HPGDLMNAHTT
SCHEMBL31400306 0.78 POLB (0.45) DYRK1AALDH1A1HPGDTDP1CCNK
SCHEMBL4469746 0.78 DYRK1A (0.44) DYRK1ATDP1CCNKCDK12GSK3B
SCHEMBL20839878 0.77 KMT2A (0.45) DYRK1AALDH1A1LMNACCNKCDK12
SCHEMBL4467882 0.76 HTT (0.44) DYRK1AMAPTALDH1A1HPGDLMNA
SCHEMBL4467887 0.76 HTT (0.44) DYRK1AMAPTALDH1A1HPGDLMNA
SCHEMBL4801800 0.69 TUBB4A (0.46) SMN1; SMN2
SCHEMBL14663291 0.69 NPC1 (0.47) MAPTALDH1A1HPGDLMNAHTT

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 DYRK1A 1097/4885MAPT 3334/4885ALDH1A1 1851/4885
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP DYRK1A 293/4885MAPT 461/4885ALDH1A1 4212/4885

“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.