SCHEMBL9967736

SCHEMBL9967736

CC(C)c1ccc(I)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRB1 P18505 1/20 0.41
PDE2A O00408 4/20 0.37
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
EIF4A3 P38919 2/20 0.34
SLC6A4 P31645 1/20 0.33
RPS6KA3 P51812 1/20 0.32
FLT1 P17948 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL1349872 0.83 PDE2A (0.42) GABRA1GABRB2GABRB1PDE2AADRA1A
SCHEMBL30169533 0.82 GABRA1 (0.46) GABRA1GABRB2GABRB1TRPA1LMNA
SCHEMBL23857841 0.82 GABRA1 (0.46) GABRA1GABRB2GABRB1TRPA1LMNA
SCHEMBL19121055 0.79 TSHR (0.38) PDE2ASLC6A4
SCHEMBL31698495 0.79 PNMT (0.31) PDE2ASLC6A4
SCHEMBL25045212 0.79 PNMT (0.31) PDE2ASLC6A4
SCHEMBL12197671 0.78 GABRA1 (0.52) GABRA1GABRB2GABRB1TRPA1LMNA
SCHEMBL27817039 0.78 PTGS1 (0.39) PDE2A
SCHEMBL27817041 0.78 PDE2A (0.33) PDE2A
SCHEMBL28827745 0.77 PDE2A (0.39) PDE2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-10-31 US disclosed
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-10-31 US disclosed
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-07-04 US disclosed
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors PFIZER INC. (US) 2023-07-04 US disclosed
WO-2022208391-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS PFIZER INC, (US) 2022-10-06 WO disclosed
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-14 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039094-A1 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039092-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2020-02-27 WO disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20130150584-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2013-06-13 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 GABRA1 4257/4885GABRB2 4163/4885GABRB1 3832/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI GABRA1 4534/4885GABRB2 4477/4885GABRB1 4321/4885
US-11691973-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 GABRA1 4842/4885GABRB2 4871/4885GABRB1 4857/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 GABRA1 4472/4885GABRB2 4238/4885GABRB1 4292/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD GABRA1 1953/4885GABRB2 2932/4885GABRB1 2502/4885
US-11802127-B2 3,4-dihydro-2,7-naphthyridine-1,6(2H,7H)-diones as MEK inhibitors NRAS, KRAS, MAPK1 GABRA1 4842/4885GABRB2 4871/4885GABRB1 4857/4885
US-20220223796-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE EXOC1, EXOC4, CHRM1 GABRA1 2403/4885GABRB2 2396/4885GABRB1 2137/4885
US-20130150584-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, PCNA, TYMP GABRA1 3471/4885GABRB2 3534/4885GABRB1 3573/4885

“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.