SCHEMBL6507984

SCHEMBL6507984

CCN(C(=O)c1ccc2c(c1)c1nn(C3CCCCO3)c(C)c1c(=O)n2CCCNC(=O)OC(C)(C)C)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
ATR Q13535 3/20 0.39
STING1 Q86WV6 3/20 0.36
MC4R P32245 1/20 0.35
MAPT P10636 2/20 0.35
DYRK1A Q13627 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 2/20 0.33
PLK1 P53350 2/20 0.33

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
SCHEMBL6512647 0.90 CNR2 (0.45) CNR2ATRSTING1MAPTDYRK1A
SCHEMBL6507978 0.88 CNR2 (0.41) CNR2ATRSTING1MAPTDYRK1A
SCHEMBL6521803 0.86 PLK1 (0.44) CNR2ATRDYRK1ABRD4PLK1
SCHEMBL6511907 0.86 ATR (0.42) CNR2ATRSTING1DYRK1ABRD4
SCHEMBL6508889 0.86 ATR (0.42) CNR2ATRSTING1DYRK1ABRD4
SCHEMBL6511027 0.86 ATR (0.42) CNR2ATRDYRK1ABRD4PLK1
SCHEMBL6509760 0.86 ATR (0.42) CNR2ATRSTING1DYRK1ABRD4
SCHEMBL6518827 0.86 ATR (0.41) CNR2ATRSTING1DYRK1ANPC1
SCHEMBL6523634 0.85 ATR (0.41) CNR2ATRSTING1DYRK1ABRD4
SCHEMBL6522341 0.85 ATR (0.43) CNR2ATRSTING1MC4RDYRK1A

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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 (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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CNR2 3139/4885ATR 717/4885STING1 1515/4885

“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.