SCHEMBL2264548

SCHEMBL2264548

CNc1ncc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
MAP3K5 Q99683 1/20 0.48
PCSK9 Q8NBP7 1/20 0.48
NUDT1 P36639 1/20 0.46
FDPS P14324 1/20 0.44
GRM5 P41594 1/20 0.44
EGFR P00533 2/20 0.44
CYP1A2 P05177 3/20 0.42
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ROCK1 Q13464 1/20 0.40
ACHE P22303 2/20 0.40
ACVR1 Q04771 1/20 0.40
BCHE P06276 1/20 0.40
S1PR3 Q99500 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL30824524 1.00 NCF1 (0.50) NCF1MAP3K5PCSK9NUDT1FDPS
SCHEMBL13222944 0.85 MAP3K5 (0.38) NCF1MAP3K5PCSK9NUDT1FDPS
SCHEMBL6467426 0.83 MAP3K5 (0.54) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL28028429 0.79 FDPS (0.44) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL28184943 0.79 FDPS (0.48) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL2338189 0.79 MAPT (0.46) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL4587589 0.79 FDPS (0.44) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL41211 0.79 PCSK9 (0.48) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL30961064 0.79 MAPT (0.46) NCF1MAP3K5PCSK9FDPSEGFR
SCHEMBL18232970 0.79 ATM (0.46) MAP3K5PCSK9FDPSEGFRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 WO disclosed
EP-3246963-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-31 EP disclosed
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-05-03 US disclosed
EP-3301097-B1 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) SAMSUNG DISPLAY CO LTD (KR) 2020-08-19 EP disclosed
EP-3693372-A1 BENZOFURO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2020-08-12 EP disclosed
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-18 US disclosed
US-20200069609-A1 METHOD FOR COVALENT BOND MODIFYING MAMMALIAN ATG8 HOMOLOGUE Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 US disclosed
EP-3301097-A2 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2018-04-04 EP disclosed
WO-2017046739-A1 IMIDAZOLIDINONE DERIVATIVES AS INHIBITORS OF PERK GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
US-9174992-B2 Heterobicyclic compounds AMGEN INC. (US) 2015-11-03 US disclosed
US-9108963-B2 Pyrazolopyridine, pyrazolopyrazine, pyrazolopyrimidine, pyrazolothiophene and pyrazolothiazole compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-08-18 US disclosed
WO-2013130890-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS AMGEN INC. (US) 2013-08-29 US disclosed
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-14 US disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 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 (8 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS NCF1 247/4885MAP3K5 30/4885PCSK9 3869/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 NCF1 241/4885MAP3K5 35/4885PCSK9 3667/4885
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 NCF1 3467/4885MAP3K5 802/4885PCSK9 4575/4885
US-11319303-B2 Compound used as autophagy regulator, and preparation method therefor and uses thereof ATG7, SQSTM1, BECN1 NCF1 1798/4885MAP3K5 1541/4885PCSK9 3659/4885
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS PDE10A, PDE1B, PDE9A NCF1 3285/4885MAP3K5 2071/4885PCSK9 279/4885
US-20200069609-A1 METHOD FOR COVALENT BOND MODIFYING MAMMALIAN ATG8 HOMOLOGUE ATG7, ATG4A, MLST8 NCF1 2902/4885MAP3K5 2514/4885PCSK9 4751/4885
US-20200190066-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF ATG7, SQSTM1, BECN1 NCF1 1798/4885MAP3K5 1541/4885PCSK9 3659/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 NCF1 1091/4885MAP3K5 3734/4885PCSK9 574/4885

“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.