Sugi Predict

Sugi Predict / Compounds / SCHEMBL1587326

SCHEMBL1587326

SCHEMBL1587326

CC(C)C(=O)N1CC[CH]CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ CHRNB3 Q05901 1/20 0.42
▸ CHRNA6 Q15825 1/20 0.42
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MET P08581 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL2302995 0.86 DPP7 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4072047 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL1098525 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL3311754 0.82 DPP4 (0.41) DPP4DPP7DPP8
SCHEMBL3319718 0.82 DPP4 (0.41) DPP4DPP7DPP8
SCHEMBL674660 0.82 — —
SCHEMBL4546617 0.82 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22753493 0.82 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3353105 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ADPP4DPP7
SCHEMBL24453920 0.79 DPP7 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856348-B1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 AND/OR FGFR MODULATORS INCYTE CORP (US) 2024-01-03 — — EP claimed
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-01-20 — — US claimed
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof INCYTE CORPORATION (US) 2021-09-07 — — US claimed
EP-3856348-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS Incyte Corporation (US) 2021-08-04 — — EP claimed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 — — EP claimed
WO-2020068729-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS INCYTE CORPORATION (US) 2020-04-02 — — WO claimed
US-20200095250-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-03-26 — — US claimed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 — — EP claimed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 — — EP claimed
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2019-05-02 — — US claimed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 — — US claimed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 — — US claimed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 — — US claimed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 — — US claimed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 — — EP claimed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 — — EP claimed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 — — EP claimed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 — — WO claimed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 — — WO claimed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 — — WO claimed

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-20200095250-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 CHRNB2 3545/4885CHRNA3 4378/4885CHRNA4 4464/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 CHRNB2 4653/4885CHRNA3 4802/4885CHRNA4 4859/4885
US-20190125737-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 CHRNB2 2640/4885CHRNA3 2499/4885CHRNA4 2820/4885
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF ALK, FGFR1, FGFR2 CHRNB2 3545/4885CHRNA3 4378/4885CHRNA4 4464/4885
US-11111247-B2 Pyrazolopyrimidine compounds and uses thereof ALK, FGFR1, FGFR2 CHRNB2 3545/4885CHRNA3 4378/4885CHRNA4 4464/4885

“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.