SCHEMBL4599725

SCHEMBL4599725

N#Cc1cccc(CF)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.45
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
DAO P14920 1/20 0.42
IDH1 O75874 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL30426333 1.00 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL27986680 0.83 GLA (0.47) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2154019 0.82 GLA (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL2153847 0.82 HRH3 (0.59) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL5090668 0.80 GLA (0.51) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL3063453 0.78 ENPP2 (0.53) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL14249396 0.78 PTPN1 (0.43) GLAFFAR1
SCHEMBL8348137 0.78 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL7053510 0.78 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL126484 0.78 GLA (0.50) GLACYP19A1CYP11B1CYP11B2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492433-B 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors 武田药品工业株式会社 2018-11-23 CN claimed
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
CN-112062670-B Fluorination reagent and deoxidization fluorination method 三明市海斯福化工有限责任公司 2023-05-09 CN 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
CN-114105722-A Method for preparing organic fluorine compound 浙江工业大学 2022-03-01 CN disclosed
CN-101945853-A Selective androgen receptor modulators (sarms) and uses thereof LIGAND PHARM INC 2011-01-12 CN disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 GLA 4179/4885CYP19A1 3133/4885CYP11B1 1312/4885
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 GLA 4179/4885CYP19A1 3133/4885CYP11B1 1312/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 GLA 30/4885CYP19A1 1756/4885CYP11B1 1702/4885
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride ZC3HAV1, EIF2AK2, IRF3 GLA 1064/4885CYP19A1 4664/4885CYP11B1 4352/4885
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM6, GRM2 GLA 4426/4885CYP19A1 3135/4885CYP11B1 1506/4885
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS GRM5, GRM6, GRM2 GLA 4426/4885CYP19A1 3135/4885CYP11B1 1506/4885

“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.