SCHEMBL436407

SCHEMBL436407

Cc1cnnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.50
CYP1A2 P05177 3/20 0.47
BACE1 P56817 1/20 0.44
TGFBR1 P36897 1/20 0.40
CYP2C19 P33261 1/20 0.39
NQO2 P16083 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8404445 0.76 MEN1 (0.42) CYP1A2MAPTKDM4EPOLBALDH1A1
SCHEMBL8404440 0.74 LMNA (0.43) CYP1A2NQO2MAPTKDM4EALDH1A1
SCHEMBL9114839 0.74 GPR3 (0.46) GPR3CYP1A2TGFBR1CYP2C19MAPT
SCHEMBL8404443 0.74 CHEK1 (0.38) CYP1A2NQO2MAPTKDM4EL3MBTL1
SCHEMBL13771801 0.74 GPR3 (0.46) GPR3CYP1A2TGFBR1CYP2C19MAPT
SCHEMBL1663961 0.73 GPR3 (0.50) GPR3CYP1A2TGFBR1CYP2C19MAPT
SCHEMBL3883304 0.73 GPR3 (0.50) GPR3CYP1A2TGFBR1CYP2C19NQO2
SCHEMBL21532813 0.73 GPR3 (0.50) GPR3CYP1A2TGFBR1CYP2C19NQO2
SCHEMBL2013184 0.73 GPR3 (0.50) GPR3CYP1A2TGFBR1CYP2C19NQO2
SCHEMBL276531 0.73 GPR3 (0.50) GPR3CYP1A2TGFBR1CYP2C19NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86105084-A HERBICIDAL CINNOLINE COMPOUNDS 1987-04-29 CN claimed
EP-0212726-A2 Herbicidal cinnoline compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-03-04 EP claimed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US disclosed
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 US disclosed
US-11696499-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-04 US disclosed
US-11696499-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-04 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-11678498-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-13 US disclosed
US-11678498-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-13 US disclosed
US-6300501-B1 Histidine-(N-benzyl glycinamide) inhibitors of protein farnesyl transferase WARNER-LAMBERT COMPANY 2001-10-09 US disclosed
EP-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed
US-4699651-A Use of certain cinnoline-4-carboxylic acids and congeners thereof for controlling the growth of unwanted plants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-13 US disclosed
US-4687836-A FROM 3,3*-DIAMINOBENZOPHENONE AND BENZOPHENONETETRACARBOXYLIC ACID MITSUI TOATSU CHEMICALS, INC. (JP) 1987-08-18 US disclosed
CN-86105084-A HERBICIDAL CINNOLINE COMPOUNDS 1987-04-29 CN disclosed
EP-0212726-A2 Herbicidal cinnoline compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-03-04 EP disclosed
US-4564383-A Use of 4-(hydroxyiminomethyl)cinnoline and congeners thereof for controlling the growth of unwanted plants SHELL OIL COMPANY (US) 1986-01-14 US disclosed
US-4033784-A Method for dissolving asphaltic material HALLIBURTON COMPANY (US) 1977-07-05 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 (3 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-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNT1, C9 GPR3 1325/4885CYP1A2 766/4885BACE1 522/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB GPR3 4079/4885CYP1A2 1595/4885BACE1 3754/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 GPR3 3954/4885CYP1A2 4167/4885BACE1 1830/4885

“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.