SCHEMBL25010664

SCHEMBL25010664

COC(=O)c1cc(N)ccc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.47
MAP4K4 O95819 1/20 0.47
PIK3CA P42336 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
CFTR P13569 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
PDE10A Q9Y233 1/20 0.43
PTPN1 P18031 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
MAPT P10636 1/20 0.41
SDHB P21912 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL21050099 0.91 KDM4E (0.43) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL30180241 0.91 KDM4E (0.43) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL30180356 0.88 KDM4E (0.40) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL21050067 0.88 KDM4E (0.40) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL23354336 0.87 SLC6A4 (0.49) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL31676871 0.87 SLC6A4 (0.49) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL21090510 0.82 CYP46A1 (0.48) CFTRKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL25010683 0.80 KDM4E (0.44) CFTRKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL23354193 0.80 SLC6A4 (0.49) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL20326801 0.79 KDM4E (0.45) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239630-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-03-04 US disclosed
US-12023319-B2 Carboxylic acid aromatic amides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-07-02 US disclosed
US-11905270-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2024-02-20 US disclosed
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230086179-A1 CARBOXYLIC ACID AROMATIC AMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-03-23 US disclosed
US-20230043209-A1 CARBOXYLIC ACID AROMATIC AMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-02-09 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 (6 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-11905270-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BDKRB1, BDKRB2, HCAR1 KCNH2 653/4885MAP4K4 725/4885PIK3CA 1575/4885
US-12023319-B2 Carboxylic acid aromatic amides DDC, PAH, NAT1 KCNH2 2679/4885MAP4K4 3268/4885PIK3CA 1417/4885
US-20230086179-A1 CARBOXYLIC ACID AROMATIC AMIDES DDC, PAH, NAT1 KCNH2 2679/4885MAP4K4 3268/4885PIK3CA 1417/4885
US-12239630-B2 Carboxylic acid aromatic amides as antagonists of bradykinin B1 receptor BDKRB1, BDKRB2, HCAR1 KCNH2 537/4885MAP4K4 803/4885PIK3CA 1702/4885
US-20230043209-A1 CARBOXYLIC ACID AROMATIC AMIDES DDC, PAH, NAT1 KCNH2 2679/4885MAP4K4 3268/4885PIK3CA 1417/4885
US-20230271931-A1 CARBOXYLIC ACID AROMATIC AMIDES AS ANTAGONISTS OF BRADYKININ B1 RECEPTOR BDKRB1, BDKRB2, HCAR1 KCNH2 537/4885MAP4K4 803/4885PIK3CA 1702/4885

“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.