SCHEMBL3080951

SCHEMBL3080951

CC(C)(C)OC(=O)N1CCCC(Nc2ccc(C(N)=O)c3[nH]c(-c4ccccc4)cc23)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.61
KCNH2 Q12809 4/20 0.61
USP30 Q70CQ3 4/20 0.51
PARP1 P09874 2/20 0.49
KIT P10721 1/20 0.49
BTK Q06187 4/20 0.46
HPGDS O60760 2/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43

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
SCHEMBL27798608 0.88 CHEK1 (0.69) CHEK1KCNH2KITBTKJAK1
SCHEMBL3086268 0.76 CHEK1 (1.00) CHEK1KCNH2KITBTKJAK1
SCHEMBL3079987 0.76 CHEK1 (1.00) CHEK1KCNH2KITBTKJAK1
SCHEMBL740230 0.73 USP30 (0.55) USP30PARP1BTK
SCHEMBL740231 0.73 USP30 (0.55) USP30PARP1BTK
SCHEMBL16336327 0.73 BTK (0.68) USP30PARP1BTKHPGDS
SCHEMBL666271 0.73 PDPK1 (0.61) CHEK1USP30PARP1BTKJAK1
SCHEMBL15644903 0.73 USP30 (0.62) USP30PARP1
SCHEMBL15644901 0.73 USP30 (0.62) USP30PARP1
SCHEMBL20970042 0.73 USP30 (0.62) USP30PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO disclosed
CN-101189243-A Substituted heterocycles and their use as CHK1, PDK1 and PAK inhibitors ASTRAZENECA AB (SE) 2008-05-28 CN disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 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 (2 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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CHEK1 1/4885KCNH2 3112/4885USP30 2717/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CHEK1 1/4885KCNH2 2899/4885USP30 1082/4885

“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.