SCHEMBL6507978

SCHEMBL6507978

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MAPT P10636 2/20 0.39
ATR Q13535 3/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 2/20 0.38
STING1 Q86WV6 1/20 0.36
PIK3CA P42336 2/20 0.35
PTGER4 P35408 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35
MAPK14 Q16539 1/20 0.34
DYRK1A Q13627 1/20 0.34

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) CNR2MAPTATRKMT2AMEN1
SCHEMBL6507984 0.88 CNR2 (0.41) CNR2MAPTATRKMT2AMEN1
SCHEMBL6511907 0.86 ATR (0.42) CNR2ATRSTING1BRD4DYRK1A
SCHEMBL6521803 0.86 PLK1 (0.44) CNR2ATRBRD4DYRK1A
SCHEMBL6509760 0.86 ATR (0.42) CNR2ATRSTING1BRD4DYRK1A
SCHEMBL6511027 0.86 ATR (0.42) CNR2ATRBRD4DYRK1A
SCHEMBL6508889 0.86 ATR (0.42) CNR2ATRSTING1BRD4DYRK1A
SCHEMBL6523634 0.85 ATR (0.41) CNR2ATRSTING1BRD4DYRK1A
SCHEMBL6522341 0.85 ATR (0.43) CNR2ATRSTING1BRD4DYRK1A
SCHEMBL6518827 0.84 ATR (0.41) CNR2ATRSTING1BRD4DYRK1A

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 3139/4885MAPT 3744/4885ATR 717/4885

“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.