SCHEMBL6512647

SCHEMBL6512647

Cc1c2c(=O)n(CCCNC(=O)OC(C)(C)C)c3ccc(C(=O)O)cc3c2nn1C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
ATR Q13535 3/20 0.43
BRD4 O60885 2/20 0.41
STING1 Q86WV6 3/20 0.37
DYRK1A Q13627 1/20 0.37
MAPT P10636 2/20 0.37
PLK1 P53350 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6522341 0.94 ATR (0.43) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6511907 0.91 ATR (0.42) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6509760 0.91 ATR (0.42) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6521803 0.91 PLK1 (0.44) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6508889 0.91 ATR (0.42) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6511027 0.91 ATR (0.42) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6507978 0.90 CNR2 (0.41) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6507984 0.90 CNR2 (0.41) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6514155 0.89 ATR (0.40) CNR2ATRBRD4STING1DYRK1A
SCHEMBL6518827 0.89 ATR (0.41) CNR2ATRBRD4STING1DYRK1A

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 717/4885BRD4 874/4885

“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.