SCHEMBL1624691

SCHEMBL1624691

O=C(NC1CCN(C(=O)O)C1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 17/20 0.52
KDM5B Q9UGL1 2/20 0.48
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4117275 0.93 KDM5A (0.49) KDM5AALDH1A1
SCHEMBL3756652 0.81 MAPK1 (0.53) ALDH1A1
SCHEMBL28586012 0.81 MAPK1 (0.53) ALDH1A1
SCHEMBL4270527 0.81 MAPK1 (0.53) ALDH1A1
SCHEMBL16992397 0.81 MAPK1 (0.55) ALDH1A1
SCHEMBL13853847 0.81 KDM5A (0.51) KDM5AKDM5BKDM5CKDM4CALDH1A1
SCHEMBL23142562 0.79 CA1 (0.53) KDM5A
SCHEMBL3458723 0.79 CA1 (0.53) KDM5A
SCHEMBL3457791 0.79 CA1 (0.53) KDM5A
SCHEMBL14167734 0.79 LTA4H (0.39) KDM5AALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716477-A 7-substituted phosphoryl quinazoline derivative and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-07-08 CN disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
EP-3204379-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016057924-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
EP-1858846-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2007-11-28 EP disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
WO-2006097175-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2006-09-21 WO disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 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 (4 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 KDM5A 2146/4885KDM5B 2337/4885KDM5C 1919/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM5B 3/4885KDM5C 2/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 KDM5A 2146/4885KDM5B 2337/4885KDM5C 1919/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B KDM5A 1/4885KDM5B 4/4885KDM5C 2/4885

“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.