SCHEMBL15328233

SCHEMBL15328233

O=Cc1cnc(NCCCNC(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ACKR3 P25106 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ATG4B Q9Y4P1 1/20 0.33
LCK P06239 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL15328603 0.88 ALDH1A1 (0.39) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15328312 0.84 P2RY2 (0.34) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15328213 0.83 CSNK2A2 (0.37) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15328215 0.83 CSNK2A2 (0.37) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL17074554 0.82 P2RY2 (0.33) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL17074557 0.82 P2RY2 (0.33) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15341063 0.81 STK17B (0.51) P2RY2
SCHEMBL15344221 0.81 CSNK2A2 (0.34) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL12470029 0.79 CHEK1 (0.36) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15328614 0.78 CSNK2A2 (0.34) P2RY2CSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN P2RY2 4398/4885CSNK2A2 2005/4885CSNK2B 1944/4885

“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.