Sugi Predict

Sugi Predict / Compounds / SCHEMBL2350150

SCHEMBL2350150

SCHEMBL2350150

CC(=O)N1CCC(C(N)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CHRM1 P11229 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL3398264 0.88 ALDH1A1 (0.59) GAAALDH1A1MAPK1LMNAGLA
SCHEMBL3398266 0.88 ALDH1A1 (0.59) GAAALDH1A1MAPK1LMNAGLA
SCHEMBL14067196 0.88 ALDH1A1 (0.59) GAAALDH1A1MAPK1LMNAGLA
SCHEMBL748985 0.87 GAA (0.58) GAASMN1; SMN2ALDH1A1CHRM1TSHR
SCHEMBL13804023 0.83 EPHX2 (0.44) SMN1; SMN2ALDH1A1MAPK1EPHX2EPHX1
SCHEMBL10086055 0.83 EPHX2 (0.44) SMN1; SMN2ALDH1A1MAPK1EPHX2EPHX1
SCHEMBL10086559 0.83 EPHX2 (0.44) SMN1; SMN2ALDH1A1MAPK1EPHX2EPHX1
SCHEMBL3938968 0.83 GAA (0.48) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL31063865 0.82 CHRNB2 (0.48) GAASMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL12233204 0.81 LMNA (0.47) GAAALDH1A1MAPK1LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 — — EP claimed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 — — EP claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 — — WO claimed
US-9845332-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-19 — — US disclosed
US-20170320895-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-09 — — US disclosed
US-9724359-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 — — US disclosed
US-9688692-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-27 — — US disclosed
US-9676742-B2 Process for preparing 4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-13 — — US disclosed
US-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 — — US disclosed
US-8846913-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-30 — — US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 — — US disclosed
US-20140046053-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-02-13 — — US disclosed
US-20130245260-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2013-09-19 — — US disclosed
US-20130211098-A1 PROCESS FOR PREPARING 4-AMINO-5-BIPHENYL-4-YL-2-HYDROXYMETHYL-2-METHYL-PENTANOIC ACID COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2013-08-15 — — US disclosed
US-8481044-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-07-09 — — US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 — — EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — 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 (7 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-20130211098-A1 PROCESS FOR PREPARING 4-AMINO-5-BIPHENYL-4-YL-2-HYDROXYMETHYL-2-METHYL-PENTANOIC ACID COMPOUNDS CYP4B1, P2RX5, MECP2 GAA 4397/4885SMN1; SMN2 1220/4885ALDH1A1 1213/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 GAA 3155/4885SMN1; SMN2 4777/4885ALDH1A1 4082/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 GAA 3303/4885SMN1; SMN2 4791/4885ALDH1A1 4484/4885
US-20170320895-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GAA 125/4885SMN1; SMN2 905/4885ALDH1A1 2644/4885
US-20140046053-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GAA 125/4885SMN1; SMN2 905/4885ALDH1A1 2644/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GAA 125/4885SMN1; SMN2 905/4885ALDH1A1 2644/4885
US-20130245260-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB GAA 176/4885SMN1; SMN2 1096/4885ALDH1A1 3379/4885

“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.