Sugi Predict

Sugi Predict / Compounds / SCHEMBL802496

SCHEMBL802496

SCHEMBL802496

O=C(NCc1ccccc1)c1n[nH]c(Nc2nc(-c3ccccc3)nc3ccccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ PDE5A O76074 5/20 0.56
▸ GBA1 P04062 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ LMNA P02545 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ GSK3A P49840 4/20 0.51
▸ GSK3B P49841 4/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ CYP1A2 P05177 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ABCG2 Q9UNQ0 3/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ TBXAS1 P24557 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
SCHEMBL805637 0.88 MAPK1 (0.53) MEN1KMT2APDE5ALMNAMAPT
SCHEMBL802832 0.87 GSK3A (0.48) MEN1KMT2APDE5AMAPTGSK3A
SCHEMBL802454 0.86 ROCK2 (0.52) MEN1KMT2APDE5AGBA1LMNA
SCHEMBL801836 0.82 CYP1A2 (0.52) MEN1KMT2APDE5AGBA1ATM
SCHEMBL801832 0.80 GSK3A (0.50) MEN1KMT2APDE5ALMNAMAPT
SCHEMBL786514 0.80 MEN1 (0.55) MEN1KMT2APDE5AGBA1ATM
SCHEMBL802499 0.80 ACP1 (0.55) MEN1KMT2APDE5AGBA1MAPT
SCHEMBL22543071 0.75 TACR3 (0.59) MEN1KMT2APDE5AGBA1ATM
SCHEMBL786303 0.74 GSK3B (0.64) MEN1KMT2APDE5ALMNAMAPT
SCHEMBL1083763 0.73 PDE5A (1.00) MEN1KMT2APDE5AGBA1ATM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — 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-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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885PDE5A 4214/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MEN1 1413/4885KMT2A 1457/4885PDE5A 3100/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A MEN1 2949/4885KMT2A 1376/4885PDE5A 4214/4885

“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.