SCHEMBL22804696

SCHEMBL22804696

O=C(O)N1CCC2(CC1)CN(c1ccc(Br)cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 12/20 0.57
ALDH1A1 P00352 8/20 0.57
MAPK1 P28482 7/20 0.57
CYP3A4 P08684 13/20 0.54
USP2 O75604 12/20 0.54
HSD17B10 Q99714 9/20 0.54
SMN1; SMN2 Q16637 9/20 0.52
CYP1A2 P05177 5/20 0.52
TSHR P16473 3/20 0.52
CYP2C9 P11712 7/20 0.51
CYP2D6 P10635 5/20 0.51
HIF1A Q16665 7/20 0.50
HPGD P15428 4/20 0.49
TP53 P04637 1/20 0.46

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
SCHEMBL22804781 0.84 CYP3A4 (0.51) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL22804382 0.81 CYP3A4 (0.52) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL5015647 0.80 AKR1C3 (0.65) CYP2C19ALDH1A1USP2SMN1; SMN2TSHR
SCHEMBL22805048 0.79 CYP3A4 (0.55) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL23439910 0.78 CYP3A4 (0.67) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL22396274 0.77 USP2 (0.62) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL23551895 0.76 CYP3A4 (0.52) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL23199735 0.76 AKR1C3 (0.42) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL31237127 0.76 TSHR (0.44) CYP2C19ALDH1A1MAPK1CYP3A4USP2
SCHEMBL23123044 0.76 ALDH1A1 (0.48) CYP2C19ALDH1A1MAPK1CYP3A4USP2

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
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
US-20240076300-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2024-03-07 US disclosed
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR C4 THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2023-04-13 US disclosed
EP-3986896-B1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2023-02-23 US disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
WO-2021127561-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 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 (4 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-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR EGFR, ERBB2, ERBB3 CYP2C19 3078/4885ALDH1A1 2283/4885MAPK1 1409/4885
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 CYP2C19 1096/4885ALDH1A1 3894/4885MAPK1 619/4885
US-20240076300-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR EGFR, ERBB2, ERBB3 CYP2C19 3078/4885ALDH1A1 2283/4885MAPK1 1409/4885
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR EGFR, ERBB2, ERBB3 CYP2C19 3078/4885ALDH1A1 2283/4885MAPK1 1409/4885

“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.