SCHEMBL7104913

SCHEMBL7104913

COc1c(Cl)ccnc1CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33
MAOA P21397 1/20 0.33
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
DYRK1A Q13627 1/20 0.32
ADRA1A P35348 1/20 0.31
PDE4D Q08499 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
LOX P28300 1/20 0.30

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
SCHEMBL29682049 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL3170691 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL8710507 0.83 TAS1R3 (0.36) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL30557385 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL1178052 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
SCHEMBL25384445 0.81 LOX (0.41) ALDH1A1KDM4EHSD17B10HTR1AHTR1D
Hydrochloric Acid SCHEMBL3180076 0.81 MAOA (0.36) ALDH1A1KDM4EHSD17B10MAOARAB9A
Hydrochloric Acid SCHEMBL5268510 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL8840465 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10MAOARAB9A
SCHEMBL12601967 0.80 PDE3B (0.37) ALDH1A1KDM4EHSD17B10HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590090-B2 Pyrimidine-and nitrogen-containing bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2026-03-31 US disclosed
EP-4223750-B1 NITROGEN-CONTAINING BICYCLIC COMPOUNDS WHICH CONTAIN PYRIMIDINE AS INTERLEUKIN 1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK-4) INHIBITORS TO BE USED IN THE TREATMENT OF INFLAMMATORY OR AUTOIMMUNE DISEASES ASAHI KASEI PHARMA CORP (JP) 2025-06-25 EP disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
CN-116194454-A Pyrimidine-containing nitrogen-containing bicyclic compounds 旭化成制药株式会社 2023-05-30 CN disclosed
US-20030171587-A1 Antimicrobial 2-pyridones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-09-11 US disclosed
EP-1341787-A2 ANTIMICROBIAL 2-PYRIDONES, THEIR COMPOSITIONS AND USES The Procter & Gamble Company (US) 2003-09-10 EP disclosed
US-6509349-B1 suppressing the growth or reproduction of microorganisms, such as bacteria. For example, such antibacterials and other antimicrobials are described in Antibiotics, Chemotherapeutics, and Antibacterial Agents for Disease THE PROCTER & GAMBLE COMPANY 2003-01-21 US disclosed
WO-2002048143-A2 ANTIMICROBIAL 2-PYRIDONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 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 (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-20030171587-A1 Antimicrobial 2-pyridones, their compositions and uses PIR, PRDX6, CLPP ALDH1A1 3730/4885KDM4E 4436/4885HSD17B10 2583/4885
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 ALDH1A1 2898/4885KDM4E 624/4885HSD17B10 4158/4885
US-12590090-B2 Pyrimidine-and nitrogen-containing bicyclic compound IRAK1, IRAK4, IRAK2 ALDH1A1 3202/4885KDM4E 1029/4885HSD17B10 2801/4885

“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.