SCHEMBL22804345

SCHEMBL22804345

O=C(O)N1CC[C@@H](c2ccc(Br)cc2)[C@H](F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
DPP4 P27487 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HSD11B1 P28845 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
L3MBTL3 Q96JM7 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
SCHEMBL22804784 1.00 KDM1A (0.44) KDM1AMAOAMAOBHRH3DPP4
SCHEMBL29061489 1.00 KDM1A (0.44) KDM1AMAOAMAOBHRH3DPP4
SCHEMBL22804467 1.00 KDM1A (0.44) KDM1AMAOAMAOBHRH3DPP4
SCHEMBL29061480 1.00 KDM1A (0.44) KDM1AMAOAMAOBHRH3DPP4
SCHEMBL16874611 0.87 KCNH2 (0.44)
SCHEMBL23291451 0.84 KDM1A (0.45) KDM1AMAOAMAOBHRH3L3MBTL1
SCHEMBL22804711 0.84 KDM1A (0.45) KDM1AMAOAMAOBHRH3L3MBTL1
SCHEMBL6041675 0.84 KDM1A (0.45) KDM1AMAOAMAOBHRH3L3MBTL1
SCHEMBL24494925 0.80 RORC (0.48) DPP4RORC
SCHEMBL24494926 0.80 RORC (0.48) DPP4RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059692-A1 NEW INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-02-22 US disclosed
US-20240018154-A1 NEW INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
WO-2023217923-A1 NEW INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-11-16 WO disclosed
EP-4255906-A1 NEW INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-10-11 EP disclosed
EP-4255907-A1 NEW INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-10-11 EP disclosed
EP-3986566-B1 NEW EGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2023-08-30 EP 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
WO-2022117475-A1 NEW INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-09 WO disclosed
WO-2022117487-A1 NEW INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-09 WO disclosed
EP-3986566-A1 NEW EGFR INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
CN-113993872-A EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
CN-113993591-A Novel EGFR inhibitors 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
EP-3814351-A1 COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-05-05 EP disclosed
WO-2020254546-A1 NEW EGFR INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 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 (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-20240018154-A1 NEW INDAZOLE DERIVATIVES CYP3A43, CYP3A4, CYP3A5 KDM1A 2075/4885MAOA 1586/4885MAOB 1523/4885
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 KDM1A 3990/4885MAOA 4295/4885MAOB 3934/4885
US-20240059692-A1 NEW INDAZOLE DERIVATIVES CYP3A43, ABCB11, CYP3A7 KDM1A 1922/4885MAOA 2598/4885MAOB 1872/4885

“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.