Sugi Predict

Sugi Predict / Compounds / SCHEMBL801774

SCHEMBL801774

SCHEMBL801774

NCCNc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 4/20 0.38
▸ MAPK8 P45983 3/20 0.38
▸ USP1 O94782 5/20 0.38
▸ WDR48 Q8TAF3 5/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ USP2 O75604 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ TRPA1 O75762 2/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ FADS1 O60427 1/20 0.35

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
SCHEMBL802353 0.88 MEN1 (0.38) MAPK10MAPK8USP1WDR48CYP1A2
SCHEMBL14164054 0.85 FADS1 (0.35) MAPK10MAPK8CYP1A2TRPA1CYP2D6
SCHEMBL805562 0.83 USP1 (0.45) MAPK10MAPK8USP1WDR48CYP1A2
SCHEMBL802143 0.83 GRM4 (0.38) MAPK10MAPK8USP1WDR48CYP1A2
SCHEMBL805539 0.77 ACP1 (0.39) MAPK10MAPK8USP1WDR48CYP1A2
SCHEMBL801734 0.75 GRM4 (0.40) MAPK10MAPK8USP1WDR48CYP1A2
SCHEMBL801521 0.75 USP1 (0.45) USP1WDR48CYP1A2CYP3A4USP2
SCHEMBL801729 0.74 TRPA1 (0.41) MAPK10MAPK8USP1WDR48CYP1A2
SCHEMBL3104864 0.72 KDM4E (0.48) MAPK10MAPK8CYP3A4TRPA1FADS1
SCHEMBL3109481 0.72 USP1 (0.67) USP1WDR48CYP1A2CYP3A4USP2

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-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-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 MAPK10 1031/4885MAPK8 433/4885USP1 3754/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 MAPK10 828/4885MAPK8 422/4885USP1 3070/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A MAPK10 1031/4885MAPK8 433/4885USP1 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.