SCHEMBL13610837

SCHEMBL13610837

CCCNc1ncc(C(=O)C(C)(C)C)s1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.51
MAPK14 Q16539 7/20 0.50
LCK P06239 2/20 0.48
LIMK1 P53667 5/20 0.44
CDK2 P24941 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK5 Q00535 1/20 0.38
TMPRSS15 P98073 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HCAR3 P49019 1/20 0.37
CCNA2 P20248 1/20 0.36

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
SCHEMBL13610909 0.87 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL13610797 0.87 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL12715517 0.83 MAPK14 (0.53) SMN1; SMN2MAPK14LCKLIMK1CDK2
SCHEMBL13610783 0.82 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL9296920 0.80 MAPK14 (0.51) MAPK14LCKLIMK1TMPRSS15
SCHEMBL13543136 0.76 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL12715569 0.74 MAPK14 (0.49) ALDH1A1SMN1; SMN2KDM4EMAPK14LCK
SCHEMBL12715515 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4EHTTMAPK14
SCHEMBL12754631 0.72 LIMK1 (0.50) MAPK14LCKLIMK1
SCHEMBL13610843 0.72 HCAR2 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDHTT

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 ALDH1A1 2368/4885SMN1; SMN2 2847/4885KDM4E 2974/4885

“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.