SCHEMBL18103221

SCHEMBL18103221

CC(Br)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.47
P2RX7 Q99572 1/20 0.47
CES2 O00748 2/20 0.43
AR P10275 1/20 0.36
F7 P08709 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 1/20 0.33
PTPN5 P54829 1/20 0.33
POLQ O75417 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL18242104 0.85 PDE2A (0.47) PDE2AP2RX7CES2ARF7
SCHEMBL22717245 0.85 P2RX7 (0.47) PDE2AP2RX7CES2ARHTR2A
SCHEMBL17698505 0.85 P2RX7 (0.47) PDE2AP2RX7CES2ARHTR2A
SCHEMBL8291096 0.84 PDE2A (0.50) PDE2ACES2ARF7HTR2A
SCHEMBL30392151 0.83 PDE2A (0.44) PDE2AP2RX7CES2ARF7
SCHEMBL18243588 0.81 PDE2A (0.49) PDE2AP2RX7CES2ARF7
SCHEMBL18103269 0.81 PDE2A (0.66) PDE2AP2RX7
SCHEMBL20072377 0.81 PDE2A (0.47) PDE2ACES2ARF7HTR2A
SCHEMBL19898274 0.81 PDE2A (0.66) PDE2ACES2ARF7HTR2A
SCHEMBL6816690 0.81 PDE2A (0.47) PDE2ACES2ARF7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
CN-102197038-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2016-04-20 CN disclosed
CN-102164891-B Substituted 1,2,3, 4-tetrahydrocyclopenta [ b ] indol-3-yl acetic acid derivatives useful for the treatment of autoimmune and inflammatory diseases ARENA PHARM INC 2014-09-03 CN 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 (2 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-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A PDE2A 1/4885P2RX7 593/4885CES2 345/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PDE2A 1/4885P2RX7 593/4885CES2 345/4885

“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.