SCHEMBL8082599

SCHEMBL8082599

Cc1cc2cccc(C=O)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAOA P21397 3/20 0.45
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ERN1 O75460 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 2/20 0.38
CRBN Q96SW2 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL28059595 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1320093 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTRIM24TRIM33KDM4E
SCHEMBL28045400 0.76 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28066198 0.75 TYR (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4428324 0.74 MAOB (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28190803 0.74 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8678236 0.74 MAOA (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16048186 0.73 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28000820 0.73 GAA (0.43) MAOAALDH1A1TRIM24TRIM33ERN1
SCHEMBL5003621 0.72 MAOA (0.59) MAOACA1CA2ADORA2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975899-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20170073348-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-16 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 US disclosed
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A CHRM2 4722/4885CHRM4 4764/4885CHRM5 4862/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CHRM2 784/4885CHRM4 1301/4885CHRM5 970/4885
US-20170073348-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES GABBR1, HRH4, CYP1B1 CHRM2 729/4885CHRM4 1055/4885CHRM5 1175/4885

“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.