SCHEMBL13610838

SCHEMBL13610838

Cc1scnc1C(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
KDM4E B2RXH2 3/20 0.38
PKM P14618 1/20 0.38
GRM1 Q13255 5/20 0.33
GRM4 Q14833 3/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL13610798 0.78 KDM4E (0.33) KDM4EPKMALDH1A1HPGDSMN1; SMN2
SCHEMBL10856198 0.77
SCHEMBL107379 0.77
SCHEMBL13379440 0.76 KDM4E (0.32) KDM4EPKM
SCHEMBL3056401 0.75
SCHEMBL13485367 0.75
SCHEMBL11166070 0.73 NAMPT (0.43) NAMPTKDM4EPKMGRM1GRM4
SCHEMBL13485303 0.72 NAMPT (0.53) NAMPTKDM4EPKMGRM1GRM4
SCHEMBL860103 0.72 NPSR1 (0.46) NAMPTKDM4EPKMGRM1
SCHEMBL13040029 0.72 NAMPT (0.42) NAMPTKDM4EPKMGRM1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 NAMPT 668/4885KDM4E 2974/4885PKM 1528/4885

“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.