SCHEMBL10323213

SCHEMBL10323213

NN(CCC1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
ALOX5 P09917 2/20 0.41
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.38
METAP1 P53582 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
EPHX1 P07099 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35

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
SCHEMBL10323234 0.98 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL3599049 0.89 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL3338716 0.87 SIGMAR1 (0.50) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL3588549 0.85 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL4429615 0.77 ALOX5 (0.52) KDM5APHF8KDM2AKDM4CALOX5
SCHEMBL11594646 0.76 KDM5A (0.41) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL6531991 0.75 EPHX1 (0.36) ALOX5HPGDSIGMAR1EPHX1
SCHEMBL3653256 0.74 KDM5A (0.41) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL4667724 0.73 KDM5A (0.40) KDM5APHF8KDM2AKDM4CKDM4A
Trifluoroacetic Acid SCHEMBL4432359 0.72 ALOX5 (0.43) ALOX5CYP2D6GRM2GRM3

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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 (1 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD KDM5A 854/4885PHF8 2460/4885KDM2A 2621/4885

“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.