Sugi Predict

Sugi Predict / Compounds / SCHEMBL802425

SCHEMBL802425

SCHEMBL802425

Cc1nc(Nc2cc(C3CCCCC3NS(C)(=O)=O)nc(-c3ccccc3C(F)(F)F)n2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 7/20 0.37
▸ CYP1A2 P05177 5/20 0.32
▸ CYP2C19 P33261 4/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP1 O94782 1/20 0.31
▸ WDR48 Q8TAF3 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL801808 0.87 CYP1A2 (0.36) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL802432 0.85 CYP1A2 (0.35) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL802078 0.84 HCRTR2 (0.38) HCRTR2CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL802492 0.79 MAP3K12 (0.43) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL802778 0.76 LMNA (0.45) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL801845 0.75 MAP3K12 (0.48) CYP2C9EPHX1EPHX2KCNH2CACNA1C
SCHEMBL14164025 0.75 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL801763 0.75 GSK3A (0.43) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL802440 0.73 ALDH1A1 (0.42) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL802438 0.73 CYP1A2 (0.41) CYP1A2CYP2C19CYP3A4CYP2D6TSHR

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 HCRTR2 1503/4885CYP1A2 1818/4885CYP2C19 2691/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 HCRTR2 2178/4885CYP1A2 3042/4885CYP2C19 1702/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A HCRTR2 1503/4885CYP1A2 1818/4885CYP2C19 2691/4885

“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.