Sugi Predict

Sugi Predict / Compounds / SCHEMBL801857

SCHEMBL801857

SCHEMBL801857

COCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.59
▸ CYP2C19 P33261 5/20 0.59
▸ CYP3A4 P08684 5/20 0.59
▸ CLK4 Q9HAZ1 2/20 0.59
▸ USP2 O75604 2/20 0.59
▸ CYP2D6 P10635 5/20 0.56
▸ RECQL P46063 1/20 0.56
▸ USP1 O94782 11/20 0.56
▸ WDR48 Q8TAF3 11/20 0.56
▸ TSHR P16473 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54

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
SCHEMBL802434 0.87 AURKA (0.68) CYP1A2CYP2C19CYP3A4CYP2D6RECQL
SCHEMBL801474 0.85 CYP1A2 (0.63) CYP1A2CYP2C19CYP3A4CLK4USP2
SCHEMBL786823 0.83 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CLK4USP2
SCHEMBL802040 0.83 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4CLK4USP2
SCHEMBL802393 0.82 CYP1A2 (0.59) CYP1A2CYP2C19CYP3A4CLK4USP2
SCHEMBL801481 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CLK4CYP2D6
SCHEMBL13054986 0.80 AURKA (0.43) CYP1A2CYP2C19CYP3A4CLK4USP2
SCHEMBL801446 0.79 SRC (0.61) CYP1A2CYP2C19CYP3A4CLK4CYP2D6
SCHEMBL802022 0.79 CYP1A2 (0.63) CYP1A2CYP2C19CYP3A4CLK4USP2
SCHEMBL801435 0.77 USP1 (0.56) CYP1A2CYP2C19CYP3A4CLK4USP2

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 17 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-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 CYP1A2 1818/4885CYP2C19 2691/4885CYP3A4 1976/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885CYP2C19 1702/4885CYP3A4 2929/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP2C19 2691/4885CYP3A4 1976/4885

“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.