SCHEMBL13105465

SCHEMBL13105465

O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccccc3)n2)c1)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.62
▸ ABL1 P00519 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ MAPK8 P45983 2/20 0.58
▸ MAPK9 P45984 2/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ KDR P35968 3/20 0.57
▸ AURKA O14965 1/20 0.57
▸ AURKB Q96GD4 1/20 0.57
▸ CDK19 Q9BWU1 1/20 0.57
▸ EGFR P00533 3/20 0.55
▸ ERBB2 P04626 3/20 0.55
▸ PKMYT1 Q99640 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ HPGD P15428 2/20 0.49

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
SCHEMBL3443712 0.93 SLC2A1 (0.60) SLC2A1ABL1PDGFRBSRCPDGFRA
SCHEMBL13105468 0.87 SLC2A1 (0.65) SLC2A1ABL1PDGFRBSRCPDGFRA
SCHEMBL3442618 0.87 SLC2A1 (0.62) SLC2A1MAPK8MAPK9MAPK10KDR
SCHEMBL3545797 0.87 SLC2A1 (0.58) SLC2A1SRCMAPK8MAPK9MAPK10
SCHEMBL3442634 0.85 SLC2A1 (0.82) SLC2A1SRCMAPK8MAPK9MAPK10
SCHEMBL3441885 0.85 SLC2A1 (0.65) SLC2A1ABL1PDGFRBSRCPDGFRA
SCHEMBL3442093 0.85 MAPK8 (0.65) SLC2A1ABL1PDGFRBSRCPDGFRA
SCHEMBL14267260 0.85 MAPK8 (0.67) SLC2A1ABL1PDGFRBSRCPDGFRA
SCHEMBL3441778 0.85 MAPK8 (0.65) SLC2A1ABL1PDGFRBSRCPDGFRA
SCHEMBL13105464 0.85 SLC2A1 (0.65) SLC2A1MAPK8MAPK9MAPK10KDR

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-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 — — US disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 — — US disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 — — US disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 — — US 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-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 SLC2A1 3810/4885ABL1 5/4885PDGFRB 18/4885

“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.

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