SCHEMBL2043767

SCHEMBL2043767

CCOC(=O)c1nnn(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
PDE4D Q08499 1/20 0.51
ALDH1A1 P00352 7/20 0.50
GAA P10253 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 1/20 0.48
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
LMNA P02545 1/20 0.46
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL29254943 0.87 CA12 (0.49) TP53ALOX12ADORA2AADORA1ALDH1A1
SCHEMBL1999421 0.86 SMN1; SMN2 (0.48) TP53ALOX12ADORA2AADORA1PDE4D
SCHEMBL22768993 0.86 PDE4D (0.53) TP53ALOX12ADORA2AADORA1PDE4D
SCHEMBL12442229 0.86 NPC1 (0.52) ALDH1A1NPC1RAB9AMAPTGABRA2
SCHEMBL25170232 0.85 NPC1 (0.48) TP53ALOX12ADORA2AADORA1PDE4D
SCHEMBL15019791 0.85 ALDH1A1 (0.53) TP53ALOX12ADORA1ALDH1A1HPGD
SCHEMBL25415963 0.81 FAAH (0.53) TP53ALOX12ADORA2AADORA1ALDH1A1
SCHEMBL17291879 0.80 MAPT (0.58) TP53ALOX12ALDH1A1GAANPC1
SCHEMBL28728715 0.78 NPC1 (0.62) TP53ALOX12ADORA2AADORA1PDE4D
SCHEMBL28577491 0.78 CYP1A2 (0.41) TP53ALOX12ADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
US-11059825-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
US-11059825-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
US-20200095251-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2020-03-26 US disclosed
US-10287292-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2019-05-14 US disclosed
US-10287292-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2019-05-14 US disclosed
EP-2925745-A1 CXCR7 ANTAGONISTS ChemoCentryx, Inc. (US) 2015-10-07 EP disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
WO-2014085490-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 WO disclosed
WO-2014085490-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 WO disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
US-20140154179-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2014-06-05 US disclosed
US-8586707-B2 Stapled peptides and method of synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-11-19 US disclosed
EP-2334317-A2 STAPLED PEPTIDES AND METHOD OF SYNTHESIS The Research Foundation Of State University Of New York (US) 2011-06-22 EP disclosed
US-20100093086-A1 Stapled Peptides and Method of Synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-04-15 US disclosed
WO-2010033617-A2 STAPLED PEPTIDES AND METHOD OF SYNTHESIS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-03-25 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 (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-10287292-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 TP53 3953/4885ALOX12 1690/4885ADORA2A 302/4885
US-20100093086-A1 Stapled Peptides and Method of Synthesis VIP, HM13, NGLY1 TP53 341/4885ALOX12 3438/4885ADORA2A 4792/4885
US-11059825-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 TP53 3953/4885ALOX12 1690/4885ADORA2A 302/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 TP53 3953/4885ALOX12 1690/4885ADORA2A 302/4885
US-20200095251-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 TP53 3953/4885ALOX12 1690/4885ADORA2A 302/4885
US-20140154179-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 TP53 3953/4885ALOX12 1690/4885ADORA2A 302/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 TP53 3953/4885ALOX12 1690/4885ADORA2A 302/4885

“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.