SCHEMBL13610873

SCHEMBL13610873

CCOC(=O)Cn1ccnc1S

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.47
MITF O75030 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL368204 0.83 POLB (0.51) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL2825741 0.81 FPR2 (0.56) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL27523728 0.81 FPR2 (0.47) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL9185808 0.81 FPR2 (0.53) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL12636575 0.78 FPR2 (0.46) FPR2MITFGSK3AGSK3BKMT2A
SCHEMBL12636573 0.78 FPR2 (0.46) FPR2MITFGSK3AGSK3BKMT2A
SCHEMBL16607297 0.78 ALDH1A1 (0.46) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL21539521 0.78 FPR2 (0.54) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL4109687 0.78 FPR2 (0.46) FPR2MITFGSK3AGSK3BMAPK1
SCHEMBL13623629 0.78 ALPG (0.35) KMT2AALDH1A1POLB

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 FPR2 642/4885MITF 1669/4885GSK3A 3754/4885

“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.