SCHEMBL102135

SCHEMBL102135

CCOC(=O)CC(=O)c1ccncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.50
FAAH O00519 1/20 0.47
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NAMPT P43490 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PPID Q08752 1/20 0.40
LMNA P02545 1/20 0.39
GRM4 Q14833 1/20 0.39
TSHR P16473 2/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38

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
SCHEMBL4421799 0.85 P2RX7 (0.54) P2RX7FAAHCTNNB1WNT3AMEN1
SCHEMBL29508230 0.80 CYP1A2 (0.53) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL917137 0.80 CYP1A2 (0.53) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL5160865 0.80 P2RX7 (0.49) P2RX7FAAHCTNNB1WNT3AKDM4E
SCHEMBL5161597 0.80 P2RX7 (0.49) P2RX7FAAHCTNNB1WNT3AKMT2A
SCHEMBL601821 0.79 LMNA (0.54) CTNNB1WNT3AGAAPKMKDM4E
Hydrochloric Acid SCHEMBL27922723 0.79 CYP1A2 (0.51) P2RX7FAAHCTNNB1WNT3ANAMPT
SCHEMBL12999382 0.79 P2RX7 (0.51) P2RX7FAAHNAMPTKDM4EMEN1
SCHEMBL12208551 0.78 P2RX7 (0.58) P2RX7FAAHCTNNB1WNT3APKM
SCHEMBL5160376 0.78 CYP3A4 (0.49) P2RX7FAAHCTNNB1WNT3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators NXERA PHARMA UK LIMITED (GB) 2025-09-16 US disclosed
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS NXERA PHARMA UK LIMITED (GB) 2024-03-21 US disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
US-20220056009-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS NXERA PHARMA UK LIMITED (GB) 2022-02-24 US disclosed
US-20220056009-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS NXERA PHARMA UK LIMITED (GB) 2022-02-24 US disclosed
US-20210309632-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS NXERA PHARMA UK LIMITED (GB) 2021-10-07 US disclosed
WO-2003072580-A1 1-[ALKYL], 1-[HETEROARYL)ALKYL] AND 1-[ARYL)ALKYL]-7-(PYRIMIDIN-4-YL)-IMADAZO[1,2-a]PYRIMIDIN-5(1H)-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO disclosed
WO-2003072579-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9- TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO disclosed
EP-1340760-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1340759-A1 1-[alkyl], 1-[(heteroaryl)alkyl] and 1-[(aryl)alkyl]-7-(pyrimidin-4-yl)-imidazo[1,2-a]pyrimidin-5(1H)-one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed
WO-2003027080-A1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2003-04-03 WO disclosed
WO-2003027115-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI-SYNTHELABO (FR) 2003-04-03 WO disclosed
EP-1295884-A1 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 7-Pyrimidinyl-2,3-Dihydroimidazo[1,2-a]Pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-03-26 EP disclosed
US-4145423-A TREATMENT OF SCHISTOSOMIASIS AND AMOEBIASIS, NEMATODES, ANTIPROTAZOA RHONE-POULENC INDUSTRIES (FR) 1979-03-20 US disclosed
US-4104386-A Derivatives of 1,2-dithiole and anti-bilharzia compositions thereof RHONE-POULENC INDUSTRIES (FR) 1978-08-01 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 (6 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-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 P2RX7 77/4885FAAH 187/4885CTNNB1 4212/4885
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 P2RX7 77/4885FAAH 187/4885CTNNB1 4212/4885
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM6, GRM2 P2RX7 75/4885FAAH 215/4885CTNNB1 4051/4885
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS GRM5, GRM6, GRM2 P2RX7 75/4885FAAH 215/4885CTNNB1 4051/4885
US-20220056009-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS GRM5, GRM6, GRM2 P2RX7 75/4885FAAH 215/4885CTNNB1 4051/4885
US-20210309632-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS GRM5, GRM6, GRM2 P2RX7 75/4885FAAH 215/4885CTNNB1 4051/4885

“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.