SCHEMBL16616905

SCHEMBL16616905

CCn1ncc2c(C)cc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA2B P29275 3/20 0.44
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
PTGER3 P43115 2/20 0.38
SYK P43405 2/20 0.36
XDH P47989 1/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KMO O15229 1/20 0.31
RAB9A P51151 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL31039265 0.83 KMO (0.35) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL16617143 0.81 PTGER3 (0.41) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL1252516 0.81 ADORA2A (0.40) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL23994142 0.81 CYP17A1 (0.43) ADORA2AADORA2BRAB9A
SCHEMBL31039286 0.80 EGFR (0.41) ADORA2AADORA2BHSD17B10KMO
SCHEMBL15910540 0.79 PTGER3 (0.41) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL15910996 0.79 PDE1A (0.41) ADORA2AADORA2BPDE1APDE1BPDE1C
SCHEMBL29426945 0.77 IDO1 (0.43) ADORA2AADORA2BPTGER3MAPTNPSR1
SCHEMBL25411517 0.77 IDO1 (0.43) ADORA2AADORA2BPTGER3MAPTNPSR1
SCHEMBL2587830 0.76 KMO (0.39) ADORA2AADORA2BPDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055300-B1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER (US) 2018-03-07 EP disclosed
EP-3055300-B1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER (US) 2018-03-07 EP disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
US-9278953-B2 Antagonists of prostaglandin EP3 receptor PFIZER INC. (US) 2016-03-08 US disclosed
WO-2015052610-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-16 WO disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 US disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 US disclosed
US-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PFIZER INC. (US) 2015-04-09 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 (1 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-20150099782-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR PTGER3, PTGES3, PTGER2 ADORA2A 240/4885ADORA2B 302/4885PDE1A 798/4885

“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.