SCHEMBL4404018

SCHEMBL4404018

CC(C)(C)c1cccc(-n2ccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
CYP3A4 P08684 2/20 0.55
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
CYP19A1 P11511 2/20 0.50
CYP2A6 P11509 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
KIF11 P52732 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ENPP2 Q13822 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
NOTUM Q6P988 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL28808683 0.87 IDO1 (0.55) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL28522776 0.84 IDO1 (0.49) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL6649233 0.83 IDO1 (0.58) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL18287244 0.82 CYP3A4 (0.47) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL31447334 0.82 CYP3A4 (0.47) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL14489499 0.82 IDO1 (0.75) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL22800101 0.80 CYP3A4 (0.41) IDO1CYP3A4CYP2A6MEN1ALOX15
SCHEMBL19287701 0.79 IDO1 (0.39) IDO1CYP3A4CYP11B1CYP11B2CYP19A1
SCHEMBL2646079 0.79 HPGD (0.47) IDO1CYP3A4NCOA3
SCHEMBL21849237 0.79 OPRD1 (0.44) KIF11NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 US disclosed
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-05-20 US disclosed
US-10947259-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-03-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 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 (11 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-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS IDO1 2580/4885CYP3A4 4332/4885CYP11B1 1485/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP IDO1 1745/4885CYP3A4 1831/4885CYP11B1 1560/4885
US-10947259-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS IDO1 2580/4885CYP3A4 4332/4885CYP11B1 1485/4885
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 IDO1 1121/4885CYP3A4 728/4885CYP11B1 352/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF IDO1 3440/4885CYP3A4 3520/4885CYP11B1 1260/4885
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IDO1 2/4885CYP3A4 1514/4885CYP11B1 777/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 IDO1 2630/4885CYP3A4 1323/4885CYP11B1 2521/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IDO1 2/4885CYP3A4 1516/4885CYP11B1 770/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A IDO1 891/4885CYP3A4 1297/4885CYP11B1 571/4885
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS IDO1 2580/4885CYP3A4 4332/4885CYP11B1 1485/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS IDO1 2580/4885CYP3A4 4332/4885CYP11B1 1485/4885

“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.