SCHEMBL20564240

SCHEMBL20564240

Clc1cc2c(cc1Br)OCCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
AHR P35869 3/20 0.44
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
AR P10275 1/20 0.38
EGFR P00533 1/20 0.38
PTGER3 P43115 1/20 0.34
PRKCI P41743 1/20 0.33
BRD4 O60885 1/20 0.32
FABP6 P51161 1/20 0.32
MAOB P27338 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
SCHEMBL30456199 1.00 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTAHR
SCHEMBL24286432 0.93 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTAHR
SCHEMBL27435131 0.85 ALDH1A1 (0.52) ALDH1A1GAAHSD17B10MAPTAHR
SCHEMBL31443925 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL16858400 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL31248976 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL25430128 0.79 EGFR (0.48) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL1853383 0.79 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL3585740 0.79 GAA (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL9799216 0.79 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E

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
CN-118084815-A Synthesis method of 7-bromo-6-chloro-3, 4-dihydro-2H-1, 4-benzoxazine 南通大学 2024-05-28 CN claimed
CN-118084815-A Synthesis method of 7-bromo-6-chloro-3, 4-dihydro-2H-1, 4-benzoxazine 南通大学 2024-05-28 CN disclosed
CN-118084815-A Synthesis method of 7-bromo-6-chloro-3, 4-dihydro-2H-1, 4-benzoxazine 南通大学 2024-05-28 CN disclosed
CN-118084815-A Synthesis method of 7-bromo-6-chloro-3, 4-dihydro-2H-1, 4-benzoxazine 南通大学 2024-05-28 CN disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885GAA 4879/4885HSD17B10 2297/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 ALDH1A1 622/4885GAA 4089/4885HSD17B10 3568/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885GAA 4879/4885HSD17B10 2297/4885

“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.