SCHEMBL16617267

SCHEMBL16617267

Cn1ncc2c(Cl)cc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.46
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
PTGER3 P43115 2/20 0.36
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
PDE2A O00408 1/20 0.33
CCR4 P51679 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EGFR P00533 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
SCHEMBL31479209 1.00 NMT1 (0.46) NMT1IDO1TDO2PTGER3ADORA2A
SCHEMBL15730130 0.81 PDE2A (0.39) PTGER3PDE2ACCR4HSD17B10MAOB
SCHEMBL25411517 0.79 IDO1 (0.43) NMT1IDO1TDO2PTGER3ADORA2A
SCHEMBL29426945 0.79 IDO1 (0.43) NMT1IDO1TDO2PTGER3ADORA2A
SCHEMBL30077758 0.79 NMT1 (0.38) NMT1IDO1TDO2PTGER3ADORA2A
SCHEMBL31602744 0.78 IDO1 (0.42) NMT1IDO1TDO2PTGER3ADORA2A
SCHEMBL459070 0.78 IDO1 (0.42) NMT1IDO1TDO2ADORA2AADORA2B
SCHEMBL16728808 0.78 IDO1 (0.42) NMT1IDO1TDO2PTGER3ADORA2A
SCHEMBL18508622 0.75 PHGDH (0.37) PTGER3PDE2ACCR4KMT2AMEN1
SCHEMBL19859412 0.75 IDO1 (0.40) IDO1TDO2ADORA2AADORA2BCCR4

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 11 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
EP-3055300-A1 ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR Pfizer Inc. (US) 2016-08-17 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
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 NMT1 2380/4885IDO1 2606/4885TDO2 3660/4885

“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.