SCHEMBL6154975

SCHEMBL6154975

CSc1cc(NC2CCNCC2)ccc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.42
AURKA O14965 1/20 0.42
KHK P50053 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
P2RX7 Q99572 1/20 0.40
SYK P43405 5/20 0.40
FLT3 P36888 1/20 0.38
KCNH2 Q12809 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKB Q96GD4 1/20 0.37
PARP1 P09874 1/20 0.37
PDK2 Q15119 1/20 0.36
HTR6 P50406 5/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 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
SCHEMBL6155049 0.83 FLT3 (0.44) RPS6KB1AURKASIRT2P2RX7SYK
SCHEMBL6153421 0.81 AURKA (0.45) RPS6KB1AURKASIRT2P2RX7SYK
SCHEMBL6153710 0.80 RPS6KB1 (0.44) RPS6KB1AURKASIRT2P2RX7SYK
SCHEMBL6156769 0.80 ROCK2 (0.47) RPS6KB1AURKASIRT2P2RX7SYK
SCHEMBL6153679 0.80 HTR4 (0.48) RPS6KB1AURKASIRT2P2RX7SYK
SCHEMBL6153513 0.77 SYK (0.46) RPS6KB1AURKASIRT2P2RX7SYK
SCHEMBL6154413 0.77 IRAK4 (0.48)
SCHEMBL6154707 0.76 SIGMAR1 (0.53) KCNH2PDK2
SCHEMBL6153950 0.76 ALDH1A1 (0.58) MAPK1PARP1
SCHEMBL6154140 0.76 HTR4 (0.45) RPS6KB1SYKFLT3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 RPS6KB1 1050/4885AURKA 2136/4885KHK 630/4885

“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.