Sugi Predict

Sugi Predict / Compounds / SCHEMBL519944

SCHEMBL519944

SCHEMBL519944

Nc1ccc(C2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ TEK Q02763 1/20 0.47
▸ KARS1 Q15046 1/20 0.47
▸ IRAK4 Q9NWZ3 6/20 0.46
▸ SLC18A3 Q16572 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL2874610 1.00 HRH3 (0.52) HRH3CYP3A4CYP2C9ABL1LCK
SCHEMBL2876268 1.00 HRH3 (0.52) HRH3CYP3A4CYP2C9ABL1LCK
SCHEMBL22852294 0.84 CYP2D6 (0.57) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL22852288 0.84 CYP2D6 (0.62) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL22852296 0.84 CYP2D6 (0.57) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL22852297 0.84 CYP2D6 (0.62) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL22852275 0.84 CYP2D6 (0.62) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL22852264 0.84 CYP2D6 (0.57) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL3515888 0.84 SLC18A3 (0.60) HRH3CYP3A4CYP2C9SLC18A3CYP2D6
SCHEMBL10836464 0.83 HRH3 (0.52) HRH3CYP3A4CYP2C9IRAK4CYP2D6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 — — EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 — — US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 — — US disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 — — US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 — — US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 — — US disclosed
EP-1811998-B1 TRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-10-20 — — EP disclosed
EP-1811998-B1 TRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-10-20 — — EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 — — WO disclosed
US-7645775-B2 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-7645775-B2 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 — — US disclosed
US-20070270410-A1 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270410-A1 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270410-A1 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
EP-1811998-A1 TRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-08-01 — — EP disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 — — EP disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 — — WO disclosed
WO-2006047256-A1 TRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-04 — — WO 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 (5 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN HRH3 2764/4885CYP3A4 4647/4885CYP2C9 4826/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 HRH3 1875/4885CYP3A4 4204/4885CYP2C9 3626/4885
US-20070270410-A1 Triazoles useful as inhibitors of protein kinases MAP3K20, MAP3K3, MAP3K1 HRH3 2005/4885CYP3A4 3279/4885CYP2C9 4080/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 HRH3 1970/4885CYP3A4 4155/4885CYP2C9 3497/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HRH3 1453/4885CYP3A4 1768/4885CYP2C9 3926/4885

“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.