SCHEMBL6004407

SCHEMBL6004407

COCOc1cccc(F)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.37
GRM2 Q14416 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL16507220 0.86 PTPN1 (0.42) KCNN4L3MBTL1PTPN1CYP3A4CYP2D6
SCHEMBL28528495 0.85 L3MBTL1 (0.41) KCNN4L3MBTL1TDP1GRM2CYP3A4
SCHEMBL28515302 0.84 L3MBTL1 (0.46) KCNN4L3MBTL1TDP1GRM2CYP3A4
SCHEMBL29381303 0.81 L3MBTL1 (0.42) KCNN4L3MBTL1TDP1PTPN1GRM2
SCHEMBL20608004 0.81 L3MBTL1 (0.42) KCNN4L3MBTL1TDP1PTPN1GRM2
SCHEMBL4535910 0.81 L3MBTL1 (0.55) KCNN4L3MBTL1TDP1CYP2D6CYP2C19
SCHEMBL9082172 0.81 PTPN1 (0.39) L3MBTL1TDP1PTPN1CYP3A4CYP2D6
SCHEMBL29617898 0.80 L3MBTL1 (0.58) KCNN4L3MBTL1TDP1CYP3A4CYP2D6
SCHEMBL12772061 0.80 L3MBTL1 (0.58) KCNN4L3MBTL1TDP1CYP3A4CYP2D6
SCHEMBL19617278 0.79 PTPN1 (0.49) KCNN4L3MBTL1TDP1PTPN1CYP3A4

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
EP-4216951-B1 KRAS G12D INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-01 EP disclosed
US-20230357277-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-11-09 US disclosed
EP-4216951-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2023-08-02 EP disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-09-22 US disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 EP disclosed
WO-2022087371-A1 NOVEL BICYCLIC COMPOUNDS SPECTRUM PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed
WO-2022066646-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-31 WO disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
WO-2021023154-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-02-11 WO disclosed
US-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke PHARMACYCLICS LLC 2006-09-14 US disclosed
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP disclosed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 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 (5 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-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 KCNN4 1962/4885L3MBTL1 4584/4885TDP1 3665/4885
US-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke F7, F9, F5 KCNN4 4320/4885L3MBTL1 4480/4885TDP1 2384/4885
US-20230357277-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS KCNN4 4825/4885L3MBTL1 2705/4885TDP1 2944/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 KCNN4 1962/4885L3MBTL1 4584/4885TDP1 3665/4885
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS KCNN4 4125/4885L3MBTL1 4301/4885TDP1 3750/4885

“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.