Sugi Predict

Sugi Predict / Compounds / SCHEMBL801799

SCHEMBL801799

SCHEMBL801799

Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccc(N4CCOCC4)cc23)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.58
▸ WDR48 Q8TAF3 2/20 0.58
▸ CYP1A2 P05177 7/20 0.51
▸ CYP2D6 P10635 5/20 0.51
▸ CYP3A4 P08684 5/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ TSHR P16473 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ PIK3R2 O00459 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SOS1 Q07889 2/20 0.43

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
SCHEMBL802483 0.83 USP1 (0.60) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL802222 0.82 USP1 (0.48) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL802787 0.81 GSK3A (0.67) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL801797 0.78 GSK3A (0.54) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL14529715 0.77 CYP1A2 (0.63) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL801802 0.77 CYP1A2 (0.55) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL802412 0.76 GSK3A (0.52) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL13962777 0.76 GSK3A (0.52) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL1083784 0.76 CYP1A2 (0.54) USP1WDR48CYP1A2CYP2D6CYP3A4
SCHEMBL801850 0.75 CYP1A2 (0.55) USP1WDR48CYP1A2CYP2D6CYP3A4

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 USP1 3754/4885WDR48 1820/4885CYP1A2 1818/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 USP1 3070/4885WDR48 1491/4885CYP1A2 3042/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A USP1 3754/4885WDR48 1820/4885CYP1A2 1818/4885

“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.