SCHEMBL9911465

SCHEMBL9911465

CC(C)NC(=O)c1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
HSPA5 P11021 1/20 0.49
RIPK1 Q13546 1/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
GRM5 P41594 2/20 0.41
CHRM2 P08172 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
FDPS P14324 1/20 0.41
RECQL P46063 1/20 0.41
PDE4A P27815 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL24567574 0.83 P2RX7 (0.50) P2RX7HSPA5SMN1; SMN2KDM4EALDH1A1
SCHEMBL24571702 0.83 P2RX7 (0.50) P2RX7HSPA5SMN1; SMN2KDM4EALDH1A1
SCHEMBL24266791 0.78 P2RX7 (0.53) P2RX7HSPA5SMN1; SMN2ALDH1A1LMNA
SCHEMBL10058945 0.78 ALDH1A1 (0.42) GRM5CHRM2SIGMAR1RECQLSMN1; SMN2
SCHEMBL24571832 0.77 CNR1 (0.42) RIPK1ALOX15TSHRCASP1GRM5
SCHEMBL163732 0.77 FDPS (0.41) RIPK1ALOX15TSHRCASP1GRM5
SCHEMBL1106971 0.76 KDM4E (0.63) GRM5SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL21209660 0.76 NAPRT (0.56) P2RX7RIPK1PDE4AKCNH2SMN1; SMN2
SCHEMBL24571662 0.75 CTSA (0.49) RIPK1GRM5FDPSPDE4AKCNH2
SCHEMBL2363536 0.75 P2RX7 (0.60) P2RX7HSPA5RIPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US 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
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 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 (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-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 P2RX7 477/4885HSPA5 1215/4885RIPK1 4280/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 P2RX7 477/4885HSPA5 1215/4885RIPK1 4280/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B P2RX7 3573/4885HSPA5 1659/4885RIPK1 1628/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B P2RX7 3437/4885HSPA5 1718/4885RIPK1 1582/4885

“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.