SCHEMBL2633339

SCHEMBL2633339

Cc1nccc2c(C(=O)C(=O)O)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.43
DYRK1B Q9Y463 2/20 0.40
CYP19A1 P11511 1/20 0.40
BRPF1 P55201 1/20 0.40
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAOA P21397 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 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
SCHEMBL2628954 0.81 KDM5A (0.38) CYP19A1BRPF1KDM5AKDM4CALDH1A1
SCHEMBL2628866 0.81 KDM4C (0.44) DYRK1ACYP19A1BRPF1KDM5AKDM4C
SCHEMBL6436133 0.81 CYP2C9 (0.39) DYRK1ACYP19A1BRPF1KDM5AKDM4C
Potassium SCHEMBL1762976 0.80 KDM4C (0.43) DYRK1ACYP19A1BRPF1KDM5AKDM4C
SCHEMBL1762972 0.80 KDM4C (0.43) DYRK1ACYP19A1BRPF1KDM5AKDM4C
SCHEMBL1763541 0.80 KDM5A (0.37) CYP19A1BRPF1KDM5AKDM4CALDH1A1
Potassium SCHEMBL1763544 0.80 KDM5A (0.37) CYP19A1BRPF1KDM5AKDM4CALDH1A1
SCHEMBL12238753 0.75 KDM5A (0.44) CYP19A1BRPF1KDM5AKDM4CALDH1A1
SCHEMBL27599870 0.74 BRPF1 (0.71) BRPF1ALDH1A1HPGDMAPTGABRA1
SCHEMBL20674206 0.73 MAOA (0.43) DYRK1ADYRK1BMAOAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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 (2 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP DYRK1A 4053/4885DYRK1B 4342/4885CYP19A1 1668/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP DYRK1A 4053/4885DYRK1B 4342/4885CYP19A1 1668/4885

“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.