SCHEMBL13623628

SCHEMBL13623628

CCC(=O)c1cnc(NCCN)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
LCK P06239 2/20 0.40
TMPRSS15 P98073 2/20 0.40
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
LIMK1 P53667 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
PRNP P04156 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL13624525 0.85 MAPK14 (0.42) MAPK14LCKTMPRSS15RAB9ANPC1
SCHEMBL13610797 0.81 SMN1; SMN2 (0.55) MAPK14LCKTMPRSS15RAB9ANPC1
SCHEMBL5567976 0.74 MAPK14 (0.47) MAPK14RAB9ANPC1CYP1A2CYP3A4
SCHEMBL12715517 0.73 MAPK14 (0.53) MAPK14LCKTMPRSS15RAB9ANPC1
SCHEMBL3798125 0.73 CCNE1 (0.46) RAB9ANPC1CYP1A2SMN1; SMN2CCNE1
SCHEMBL27668216 0.72 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12715569 0.71 MAPK14 (0.49) MAPK14LCKTMPRSS15SMN1; SMN2LIMK1
SCHEMBL4557739 0.71 MAPK14 (0.50) MAPK14LCKTMPRSS15RAB9ANPC1
SCHEMBL9296920 0.71 MAPK14 (0.51) MAPK14LCKTMPRSS15LIMK1
SCHEMBL13610837 0.70 ALDH1A1 (0.56) MAPK14LCKTMPRSS15SMN1; SMN2LIMK1

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 MAPK14 3130/4885LCK 4559/4885TMPRSS15 1767/4885

“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.