SCHEMBL26460757

SCHEMBL26460757

C=C1Cc2ccncc2N1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CHRNA7 P36544 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL24869481 0.76 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1PDE3BPDE3A
SCHEMBL29526300 0.76 PDE3B (0.54) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL477609 0.76 PDE3B (0.54) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2362200 0.74 PDE3B (0.53) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL28939689 0.74 PDE3B (0.38) CHRNB2CHRNA4SIGMAR1PDE3BPDE3A
Bromide SCHEMBL28736604 0.73 PDE3B (0.37) CHRNB2CHRNA4SIGMAR1PDE3BPDE3A
SCHEMBL1537890 0.70 MAPT (0.56) GAAMAPT
SCHEMBL29749715 0.70 MAPT (0.56) GAAMAPT
SCHEMBL2432002 0.68
SCHEMBL2810679 0.67 CDK2 (0.45) GAAMAPTIDO1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
US-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 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-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA CHRNB2 578/4885CHRNA4 372/4885SIGMAR1 390/4885
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 CHRNB2 305/4885CHRNA4 146/4885SIGMAR1 384/4885
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 CHRNB2 3892/4885CHRNA4 4311/4885SIGMAR1 875/4885

“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.