Sugi Predict

Sugi Predict / Compounds / SCHEMBL657214

SCHEMBL657214

SCHEMBL657214

O[C@H]1CC[C@H](n2cc(I)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.54
▸ LRRK2 Q5S007 3/20 0.38
▸ ACHE P22303 3/20 0.37
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ AURKB Q96GD4 3/20 0.34
▸ AXL P30530 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CDK1 P06493 1/20 0.34

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
SCHEMBL657215 1.00 MPO (0.54) MPOLRRK2ACHEJAK2JAK1
SCHEMBL1359774 1.00 MPO (0.54) MPOLRRK2ACHEJAK2JAK1
SCHEMBL2640854 0.96 MPO (0.51) MPOLRRK2ACHEJAK2JAK1
SCHEMBL670597 0.90 — —
SCHEMBL22433063 0.89 MPO (0.51) MPOLRRK2ACHEJAK2JAK1
SCHEMBL22749859 0.83 MPO (0.51) MPOACHEJAK2JAK1TYK2
SCHEMBL22750018 0.83 MPO (0.51) MPOACHEJAK2JAK1TYK2
SCHEMBL2030665 0.83 MPO (0.51) MPOACHEJAK2JAK1TYK2
SCHEMBL18616507 0.82 MPO (0.59) MPOLRRK2ACHEJAK2JAK1
SCHEMBL14863089 0.82 MPO (0.59) MPOLRRK2ACHEJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569314-B1 FUSED BICYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2016-09-07 — — EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 — — EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 — — EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 — — US disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 — — US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 — — US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 — — US disclosed
US-20110281888-A1 Fused Bicyclic Kinase Inhibitors OSI Pharmaceuticals, LLC 2011-11-17 — — US disclosed
US-20110224191-A1 Substituted Pyrrolo[2,3-b]-Pyridines and -Pyrazines OSI Pharmaceuticals, LLC 2011-09-15 — — US disclosed
US-20110224191-A1 Substituted Pyrrolo[2,3-b]-Pyridines and -Pyrazines OSI Pharmaceuticals, LLC 2011-09-15 — — US disclosed
US-20110224191-A1 Substituted Pyrrolo[2,3-b]-Pyridines and -Pyrazines OSI Pharmaceuticals, LLC 2011-09-15 — — US disclosed
EP-2356116-A1 SUBSTITUTED PYRROLOÝ2,3-B¨-PYRIDINES AND-PYRAZINES OSI Pharmaceuticals, Inc. (US) 2011-08-17 — — EP disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 — — WO disclosed
WO-2010059771-A1 SUBSTITUTED PYRROLO[2,3-B]-PYRIDINES AND-PYRAZINES OSI PHARMACEUTICALS, INC. (US) 2010-05-27 — — WO disclosed
WO-2010059771-A1 SUBSTITUTED PYRROLO[2,3-B]-PYRIDINES AND-PYRAZINES OSI PHARMACEUTICALS, INC. (US) 2010-05-27 — — 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-20110281888-A1 Fused Bicyclic Kinase Inhibitors ALK, RET, MET MPO 4233/4885LRRK2 351/4885ACHE 4862/4885
US-20110224191-A1 Substituted Pyrrolo[2,3-b]-Pyridines and -Pyrazines MET, RET, KRAS MPO 2414/4885LRRK2 857/4885ACHE 4881/4885
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 MPO 3843/4885LRRK2 167/4885ACHE 4577/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS MPO 4636/4885LRRK2 854/4885ACHE 4750/4885
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR MPO 463/4885LRRK2 3375/4885ACHE 2900/4885

“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.