SCHEMBL1934767

SCHEMBL1934767

CCOC(=O)c1nc(CN2CCCC2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ENPP2 Q13822 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2250227 0.88 SMN1; SMN2 (0.52) GSK3BJAK2JAK1JAK3ALDH1A1
SCHEMBL2594514 0.79 ALDH1A1 (0.48) JAK2JAK1JAK3ALDH1A1KMT2A
SCHEMBL21436245 0.79 SMN1; SMN2 (0.44) ALDH1A1KDM4EENPP2KMT2ASMN1; SMN2
SCHEMBL15110981 0.78 ALDH1A1 (0.47) JAK2JAK1JAK3ALDH1A1KMT2A
SCHEMBL14825310 0.78 GSK3B (0.48) GSK3BALDH1A1KDM4ELMNANPC1
SCHEMBL15111012 0.77 ALDH1A1 (0.46) JAK2JAK1JAK3ALDH1A1KMT2A
SCHEMBL4721794 0.77 ALDH1A1 (0.46) JAK2JAK1JAK3ALDH1A1KMT2A
SCHEMBL855435 0.77 SMN1; SMN2 (0.46) JAK2JAK1JAK3ALDH1A1KDM4E
SCHEMBL7406263 0.77 ALDH1A1 (0.49) JAK2JAK1JAK3ALDH1A1KDM4E
SCHEMBL7618086 0.77 MEN1 (0.46) JAK2JAK1JAK3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GSK3B 1812/4885JAK2 1183/4885JAK1 1431/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GSK3B 2033/4885JAK2 1551/4885JAK1 1707/4885

“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.