Sugi Predict

Sugi Predict / Compounds / SCHEMBL3540683

SCHEMBL3540683

SCHEMBL3540683

COc1ccc2c(-c3ccnc(Cl)n3)c(-c3cccc(NC(=O)C(F)(F)F)c3)nn2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.40
▸ SLC2A1 P11166 3/20 0.40
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ PKMYT1 Q99640 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ KDR P35968 2/20 0.37
▸ AURKA O14965 2/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3541915 0.89 GSK3B (0.42) GSK3BSLC2A1MAPTPKMYT1KDR
SCHEMBL3442491 0.89 SLC2A1 (0.42) GSK3BSLC2A1TP53MAPTPKMYT1
SCHEMBL3441975 0.85 SLC2A1 (0.51) GSK3BSLC2A1TP53MAPTPKMYT1
SCHEMBL3547940 0.83 KDR (0.42) SLC2A1TP53MAPTKDRAURKA
SCHEMBL3541657 0.82 IGF1R (0.51) GSK3BSLC2A1KDRAURKAAURKB
SCHEMBL3441817 0.78 SLC2A1 (0.43) SLC2A1TP53MAPTPOLBPKMYT1
SCHEMBL3441896 0.77 SLC2A1 (0.55) GSK3BSLC2A1TP53MAPTPKMYT1
SCHEMBL13121374 0.76 MAPT (0.52) TP53MAPTMEN1KMT2ANPC1
SCHEMBL3442348 0.76 SLC2A1 (0.41) GSK3BSLC2A1TP53MAPTKDR
SCHEMBL3540125 0.73 SLC2A1 (0.41) GSK3BSLC2A1TP53MAPTKDR

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
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 — — EP disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 — — US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 — — US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 — — US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 — — US disclosed
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 — — EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 — — 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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 GSK3B 1240/4885SLC2A1 3810/4885TP53 238/4885

“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.