SCHEMBL901248

SCHEMBL901248

N#Cc1ccnc(-c2ccccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.61
KDM4E B2RXH2 5/20 0.54
LMNA P02545 3/20 0.54
METAP1 P53582 2/20 0.54
CCR1 P32246 2/20 0.54
CCR5 P51681 2/20 0.54
CCR8 P51685 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
METAP2 P50579 1/20 0.51
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47

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
SCHEMBL29193811 0.90 GRM5 (0.56) GRM5KDM4ELMNAMETAP1CCR1
SCHEMBL9792784 0.88 NPY5R (0.45) GRM5METAP1CCR1CCR5CCR8
SCHEMBL29500425 0.88 NPY5R (0.45) GRM5METAP1CCR1CCR5CCR8
SCHEMBL31463173 0.81 KDM4E (0.54) GRM5KDM4ELMNAMETAP1CCR1
SCHEMBL7964599 0.81 KDM4E (0.54) GRM5KDM4ELMNAMETAP1CCR1
SCHEMBL2949191 0.81 ASIC3 (0.53) GRM5LMNACYP1A2ALDH1A1TSHR
SCHEMBL30158989 0.81 ASIC3 (0.53) GRM5LMNACYP1A2ALDH1A1TSHR
SCHEMBL20761979 0.80 GRM5 (0.48) GRM5KDM4EMETAP1METAP2HTT
SCHEMBL17115942 0.79 GRM5 (0.41) GRM5KDM4EMETAP1METAP2HTT
SCHEMBL17116755 0.79 GRM5 (0.48) GRM5KDM4ELMNAMETAP1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-104755477-B 2-aminopyridine compounds 默克专利股份公司 2017-09-26 CN claimed
CN-117343002-A Synthesis method of beta-cyanoalkyl pyridine compound 西南医科大学 2024-01-05 CN disclosed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN disclosed
CN-106458992-B Pyridyl piperidine 默克专利股份公司 2019-03-15 CN disclosed
CN-108513574-A N-sulfonylated pyrazolo [3,4-b ] pyridine-6-carboxamides and methods of use 艾伯维公司 2018-09-07 CN disclosed
CN-108431002-A Substituted pyrazolo [3, 4-b ] pyridine-6-carboxylic acids and uses thereof 艾伯维公司 2018-08-21 CN disclosed
CN-104755477-B 2-aminopyridine compounds 默克专利股份公司 2017-09-26 CN disclosed
CN-104684899-B Substituted sulfonamide compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
CN-106458992-A Pyridyl piperidines 默克专利股份公司 2017-02-22 CN disclosed
US-20160351825-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME DOOSAN CORPORATION (KR) 2016-12-01 US disclosed
EP-2203439-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-Ý1, 4'¨BIPYRIDINYL-2'-ONES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-07-07 EP disclosed
WO-2009033704-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-[1, 4'] BIPYRIDINYL-2'-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO 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-20160351825-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OR10J3, ORAI2, ETV6 GRM5 2470/4885KDM4E 1209/4885LMNA 2535/4885

“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.