SCHEMBL4301697

SCHEMBL4301697

O=C(O)c1cncnc1NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.41
KIF11 P52732 12/20 0.38
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SYK P43405 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4297412 0.99 AGTR1 (0.42) AGTR1AGTR2SIRT2KIF11CYP3A4
Lithium Ion SCHEMBL4301692 0.88 SIRT2 (0.39) AGTR1AGTR2SIRT2KIF11CYP3A4
SCHEMBL4290857 0.85 AGTR1 (0.47) AGTR1AGTR2HSD17B10TSHRALOX15
SCHEMBL4296812 0.83 SIRT2 (0.48) SIRT2KIF11CYP3A4HSD17B10CYP1A2
SCHEMBL4297348 0.81 SIRT2 (0.49) SIRT2KIF11CYP3A4HSD17B10CYP1A2
SCHEMBL13623590 0.80 SIRT2 (0.44) SIRT2KIF11CYP3A4HSD17B10TSHR
SCHEMBL4288771 0.77 SIRT2 (0.46) SIRT2KIF11KDM4E
SCHEMBL4293392 0.75 SIRT2 (0.47) SIRT2KIF11KDM4E
Lithium Ion SCHEMBL4296808 0.74 SIRT2 (0.46) SIRT2KIF11HSD17B10KDM4ETDP1
SCHEMBL4296894 0.73 HCAR3 (0.56) SIRT2KIF11

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 8 patents. 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
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO 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 AGTR1 188/4885AGTR2 84/4885SIRT2 260/4885

“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.