SCHEMBL3442127

SCHEMBL3442127

Cn1cccc1C(=O)Nc1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C#N)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.60
▸ GSK3B P49841 17/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ CDK4 P11802 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ ABL1 P00519 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ BCR P11274 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ PRKCA P17252 1/20 0.48

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
SCHEMBL3442042 0.91 PKMYT1 (0.65) PKMYT1GSK3BCDK2
SCHEMBL13105481 0.89 SLC2A1 (0.57) PKMYT1GSK3BCDK2CDK4DYRK1A
SCHEMBL3441818 0.84 PKMYT1 (0.55) PKMYT1GSK3BCDK2
SCHEMBL13105474 0.81 SLC2A1 (0.64) PKMYT1GSK3BCDK2ABL1PDGFRB
SCHEMBL3441857 0.79 SLC2A1 (0.62) PKMYT1GSK3BABL1PDGFRBBCR
SCHEMBL3442825 0.77 AURKA (0.72) PKMYT1GSK3BABL1PDGFRBBCR
SCHEMBL13105317 0.76 SLC2A1 (0.57) PKMYT1GSK3BCDK2CDK4
SCHEMBL3443186 0.75 AURKA (0.60) PKMYT1GSK3BCDK2CDK4DYRK1A
SCHEMBL13105479 0.72 SLC2A1 (0.52) PKMYT1
SCHEMBL28276034 0.72 USP2 (0.62) —

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 3 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
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 — — EP 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 PKMYT1 450/4885GSK3B 1240/4885CDK2 6/4885

“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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