Sugi Predict

Sugi Predict / Compounds / SCHEMBL805565

SCHEMBL805565

SCHEMBL805565

CNc1nc(C)nc2nccnc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ MAP2K7 O14733 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ YTHDC1 Q96MU7 3/20 0.32
▸ YTHDF2 Q9Y5A9 1/20 0.31
▸ ALK Q9UM73 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ CCR8 P51685 1/20 0.30

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
SCHEMBL5425440 0.74 ADORA2A (0.40) ADORA2ACCR1CCR5CCR8
SCHEMBL25966831 0.72 ADORA2A (0.39) ADORA2ACCR1CCR5CCR8
SCHEMBL12736848 0.72 ABCG2 (0.42) CCR1CCR8
SCHEMBL12510648 0.72 PRMT5 (0.45) CCR1CCR5CCR8
SCHEMBL3108314 0.71 ADORA2A (0.38) ADORA2ACCR1CCR5CCR8
SCHEMBL30570890 0.71 ADORA2A (0.38) ADORA2ACCR1CCR5CCR8
SCHEMBL22055303 0.71 ADORA2A (0.63) ADORA2ACCR1CCR5CCR8
SCHEMBL687166 0.71 ADORA2A (0.38) ADORA2ACCR1CCR5CCR8
SCHEMBL19428748 0.68 ADORA2A (0.35) ADORA2ACCR1CCR5CCR8
SCHEMBL13107391 0.67 NOS3 (0.35) ADORA2A

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-8669081-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-11 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070190634-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 — — 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 (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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ADORA2A 2458/4885PDE4A 3616/4885PDE4B 3468/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A ADORA2A 2200/4885PDE4A 3859/4885PDE4B 3723/4885

“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.