SCHEMBL21552373

SCHEMBL21552373

O=C1COc2c(F)cc(Cl)cc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.45
NR3C1 P04150 5/20 0.45
NR3C2 P08235 5/20 0.45
AR P10275 1/20 0.41
HTR1A P08908 3/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
ADRB1 P08588 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
IL4I1 Q96RQ9 1/20 0.38
MMP12 P39900 1/20 0.38
NOTUM Q6P988 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL705085 0.83 NR3C2 (0.50) PGRNR3C1NR3C2HTR1ADRD2
SCHEMBL19629960 0.80 NR3C2 (0.45) PGRNR3C1NR3C2HTR1ADRD2
SCHEMBL8082246 0.80 PGR (0.46) PGRNR3C1NR3C2ARADRB1
SCHEMBL29939223 0.80 NR3C2 (0.45) PGRNR3C1NR3C2ARHTR1A
SCHEMBL4102483 0.80 NR3C2 (0.45) PGRNR3C1NR3C2ARHTR1A
SCHEMBL4480236 0.80 PDE3B (0.41) PGRNR3C1NR3C2HTR1ADRD2
SCHEMBL12116980 0.80 PDE3B (0.53) PGRNR3C1NR3C2HTR1AHTR1D
SCHEMBL3174255 0.80 IL4I1 (0.38) PGRNR3C1NR3C2HTR1ADRD2
SCHEMBL21372202 0.80 NR3C2 (0.48) PGRNR3C1NR3C2HTR1AHTR1D
SCHEMBL8202873 0.80 NR3C2 (0.45) PGRNR3C1NR3C2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
CN-115835867-A Benzimidazole derivative, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2023-03-21 CN disclosed
WO-2022033567-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海拓界生物医药科技有限公司 2022-02-17 WO disclosed
US-20210380570-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-12-09 US disclosed
EP-3790551-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-17 EP disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 WO disclosed
WO-2019217307-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-11-14 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 (2 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-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 PGR 1750/4885NR3C1 3201/4885NR3C2 3536/4885
US-20210380570-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PGR 4018/4885NR3C1 3333/4885NR3C2 3993/4885

“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.