Sugi Predict

Sugi Predict / Compounds / SCHEMBL801815

SCHEMBL801815

SCHEMBL801815

Cc1nc(Nc2nc(-c3ccc(F)cc3C(F)(F)F)nc3ccccc23)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.62
▸ GSK3B P49841 2/20 0.62
▸ USP1 O94782 8/20 0.52
▸ WDR48 Q8TAF3 8/20 0.52
▸ CYP1A2 P05177 6/20 0.50
▸ CYP2C19 P33261 6/20 0.50
▸ CYP2D6 P10635 4/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CYP3A4 P08684 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 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
SCHEMBL802787 0.89 GSK3A (0.67) GSK3AGSK3BUSP1WDR48CYP1A2
SCHEMBL802193 0.88 GSK3B (0.69) GSK3AGSK3BMEN1KMT2AALDH1A1
SCHEMBL802236 0.82 GSK3A (0.69) GSK3AGSK3BUSP1WDR48CYP1A2
SCHEMBL801797 0.82 GSK3A (0.54) GSK3AGSK3BUSP1WDR48CYP1A2
SCHEMBL802412 0.80 GSK3A (0.52) GSK3AGSK3BUSP1WDR48CYP1A2
SCHEMBL13962777 0.80 GSK3A (0.52) GSK3AGSK3BUSP1WDR48CYP1A2
SCHEMBL786367 0.80 USP1 (0.55) USP1WDR48CYP1A2CYP2C19CYP2D6
SCHEMBL801801 0.80 GSK3A (0.69) GSK3AGSK3BCYP1A2CYP2C19CYP2D6
SCHEMBL805574 0.79 GSK3B (0.72) GSK3AGSK3BCYP1A2CYP2C19CYP2D6
SCHEMBL802192 0.79 GSK3A (0.75) GSK3AGSK3BUSP1WDR48CYP1A2

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 GSK3A 3/4885GSK3B 1/4885USP1 3754/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3A 2/4885GSK3B 1/4885USP1 3070/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GSK3A 3/4885GSK3B 1/4885USP1 3754/4885

“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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