SCHEMBL2237656

SCHEMBL2237656

CNCc1ccc(C2=NCC(C)(C)CN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
NISCH Q9Y2I1 4/20 0.39
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
AKT2 P31751 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
NCF1 P14598 1/20 0.34
PARP1 P09874 4/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
AOC3 Q16853 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PARP2 Q9UGN5 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
NOS1 P29475 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14029047 0.84 NISCH (0.41) NISCHLMNA
SCHEMBL4032698 0.83 AOC3 (0.45) ADRB2NISCHPRKACAPRKACGPRKACB
SCHEMBL2242209 0.75 NISCH (0.68) NISCHLMNAMAOAMAOB
SCHEMBL15513544 0.75 BDKRB1 (0.36) NISCH
SCHEMBL1936312 0.75 GAA (0.38) NISCHMAPTGAA
Hydrochloric Acid SCHEMBL2240002 0.74 NISCH (0.66) NISCHLMNAMAOAMAOB
Hydrochloric Acid SCHEMBL15514136 0.74 NISCH (0.66) NISCHLMNAMAOAMAOB
Hydrochloric Acid SCHEMBL2238276 0.74 NISCH (0.66) NISCHLMNAMAOAMAOB
SCHEMBL4036965 0.73 NISCH (0.61) NISCHGAA
Hydrochloric Acid SCHEMBL1935815 0.72 NISCH (0.59) NISCHLMNAGAA

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-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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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 (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 ADRB2 72/4885NISCH 337/4885PRKACA 3326/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ADRB2 78/4885NISCH 317/4885PRKACA 3508/4885

“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.