SCHEMBL21875403

SCHEMBL21875403

COC(=O)c1cc(Br)c(C)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 5/20 0.41
HSD17B10 Q99714 2/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
CFTR P13569 1/20 0.40
ACHE P22303 4/20 0.39
SOS1 Q07889 1/20 0.39
ABL1 P00519 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
Acetic Acid SCHEMBL29164016 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAHSD17B10
Trifluoroacetic Acid SCHEMBL25305646 0.90 SOS1 (0.42) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL28381224 0.84 GAA (0.50) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL25360368 0.82 KDM4E (0.44) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL29824155 0.82 KDM4E (0.44) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL29164014 0.81 KDM4E (0.41) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL21001745 0.81 GAA (0.41) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL31692851 0.81 IKBKB (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL30006976 0.81 GABRP (0.46) ALDH1A1KDM4EHSD17B10GLAKMT2A
SCHEMBL3300500 0.81 GABRP (0.46) ALDH1A1KDM4EHSD17B10GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240247015-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-07-25 US disclosed
EP-4322962-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS Bayer Aktiengesellschaft (DE) 2024-02-21 EP disclosed
CN-117500507-A Phosphorus derivatives as novel SOS1 inhibitors 拜耳公司 2024-02-02 CN disclosed
US-20230357239-A1 PYRIDO[2,3-D]PYRIMIDIN-4-AMINES AS SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 WO disclosed
EP-4214204-A1 PYRIDO[2,3-D]PYRIMIDIN-4-AMINES AS SOS1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-07-26 EP disclosed
CN-116323623-A Pyrido [2,3-d ] pyrimidin-4-amines as SOS1 inhibitors 拜耳公司 2023-06-23 CN disclosed
WO-2022219035-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-10-20 WO disclosed
EP-4074317-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS Bayer AG (DE) 2022-10-19 EP disclosed
WO-2022058344-A1 PYRIDO[2,3-D]PYRIMIDIN-4-AMINES AS SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-03-24 WO disclosed
US-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2020-04-30 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-20200131180-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 ALDH1A1 3782/4885KDM4E 1530/4885HPGD 3627/4885
US-20230357239-A1 PYRIDO[2,3-D]PYRIMIDIN-4-AMINES AS SOS1 INHIBITORS SOS1, PPM1D, SOS2 ALDH1A1 1836/4885KDM4E 3648/4885HPGD 2247/4885
US-20240247015-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS SOST, PPM1D, SOS1 ALDH1A1 4644/4885KDM4E 4080/4885HPGD 3496/4885

“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.