SCHEMBL6506935

SCHEMBL6506935

Cc1n[nH]c2c1c(=O)n(CCCCNC(=O)OC(C)(C)C)c1ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
DYRK1A Q13627 1/20 0.42
CAMK2D Q13557 1/20 0.41
CNR2 P34972 1/20 0.40
STING1 Q86WV6 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
DRD2 P14416 1/20 0.37

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
SCHEMBL6522395 0.97 PLK1 (0.45) PLK1PIM1PIM3DYRK1ACAMK2D
SCHEMBL6514615 0.94 PIK3R1 (0.41) PLK1PIM1PIM3DYRK1ACAMK2D
SCHEMBL6522415 0.87 CHEK1 (0.46) PLK1PIM1PIM3DYRK1ACNR2
SCHEMBL6511693 0.85 PIM1 (0.49) PLK1PIM1PIM3DYRK1ACAMK2D
SCHEMBL6515396 0.84 PIK3R1 (0.39) PLK1CAMK2DPIK3R1PIK3CA
SCHEMBL6514168 0.83 PLK1 (0.45) PLK1CNR2STING1CYP3A4CYP2D6
SCHEMBL6517950 0.82 PIK3R1 (0.41) PLK1STING1PIK3R1PIK3CA
SCHEMBL6519824 0.82 FAAH (0.44) PIK3R1PIK3CA
SCHEMBL6507966 0.81 PIM1 (0.45) PIM1PIM3DYRK1ACAMK2DCNR2
SCHEMBL6513337 0.81 PIK3R1 (0.45) DYRK1ACNR2PIK3R1PIK3CA

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 PLK1 151/4885PIM1 385/4885PIM3 609/4885

“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.