SCHEMBL21076176

SCHEMBL21076176

c1cc2cc(-c3cc4[nH]c(-c5cnc6[nH]cnc6c5)cc4cn3)[nH]c2cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
CLK2 P49760 4/20 0.33
CLK3 P49761 4/20 0.33
DYRK1A Q13627 4/20 0.33
CDK5 Q00535 3/20 0.33
CDK5R1 Q15078 3/20 0.33
TBK1 Q9UHD2 1/20 0.33
DAO P14920 1/20 0.33
MAPT P10636 3/20 0.32
MAPK1 P28482 1/20 0.32
FYN P06241 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
SNCA P37840 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
SCHEMBL26005817 0.78 CYP19A1 (0.34) CYP19A1CLK2CLK3DYRK1ATBK1
SCHEMBL24067664 0.72 PIK3CD (0.60) CYP19A1CLK2DYRK1ACDK5MAPK1
SCHEMBL25937022 0.72 RIPK1 (0.54) CLK2CLK3DYRK1A
SCHEMBL22196111 0.70 PIK3CD (0.50) CLK2CLK3DYRK1ACDK5MAPK1
SCHEMBL11371088 0.68 PIK3CA (0.56) MAPTMAPK1PDE3BPDE3A
SCHEMBL21191606 0.67 MAPK1 (0.46) MAPK1
SCHEMBL27075650 0.67 CYP19A1 (0.53) CYP19A1CLK2CLK3DYRK1ACDK5
SCHEMBL21566047 0.65 CYP19A1 (0.47) CYP19A1CLK2CLK3DYRK1ACDK5
Hydrochloric Acid SCHEMBL11361979 0.65 PIK3CA (0.53) MAPK1PDE3BPDE3A
SCHEMBL27075631 0.65 DAO (0.45) CYP19A1CLK2CLK3DYRK1ACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
US-20200138780-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-05-07 US disclosed
US-20190167636-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-06-06 US 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-20190167636-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ CYP19A1 1620/4885CLK2 4023/4885CLK3 3957/4885
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ CYP19A1 1620/4885CLK2 4023/4885CLK3 3957/4885
US-20200138780-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ CYP19A1 1620/4885CLK2 4023/4885CLK3 3957/4885

“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.