SCHEMBL193574

SCHEMBL193574

COc1c(Br)c[n+]([O-])c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL4546154 0.79 HSP90AA1 (0.36)
SCHEMBL13175227 0.78
SCHEMBL10664892 0.78 ACHE (0.37)
SCHEMBL2111129 0.76
SCHEMBL22889921 0.76 CA2 (0.33) CA2CA4
SCHEMBL192671 0.72 CA2 (0.33) CA2CA4
SCHEMBL3803799 0.69 KDM4E (0.38) CA2
SCHEMBL11116745 0.69 HSP90AA1 (0.32)
SCHEMBL9942466 0.67
SCHEMBL14507727 0.66 CA2 (0.61) CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
EP-2402349-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-04 EP disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 CA2 4811/4885CA4 4874/4885
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 CA2 4209/4885CA4 4249/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 CA2 4811/4885CA4 4874/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 CA2 4209/4885CA4 4249/4885

“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.