SCHEMBL3079987

SCHEMBL3079987

NC(=O)c1ccc(NC2CCCNC2)c2cc(-c3ccccc3)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 1.00
KCNH2 Q12809 5/20 1.00
RPS6KB1 P23443 6/20 0.52
PDPK1 O15530 3/20 0.52
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
FLT3 P36888 1/20 0.46
AURKA O14965 4/20 0.46
AURKB Q96GD4 1/20 0.45
CSF1R P07333 2/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
BTK Q06187 1/20 0.45
PLK4 O00444 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
PRKCG P05129 1/20 0.45

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
SCHEMBL3086268 1.00 CHEK1 (1.00) CHEK1KCNH2RPS6KB1PDPK1JAK1
SCHEMBL3087022 0.90 CHEK1 (1.00) CHEK1KCNH2FLT3CSF1RBTK
SCHEMBL3086394 0.90 CHEK1 (1.00) CHEK1KCNH2RPS6KB1PDPK1FLT3
SCHEMBL3069684 0.90 CHEK1 (1.00) CHEK1KCNH2FLT3CSF1RBTK
SCHEMBL3077284 0.90 CHEK1 (1.00) CHEK1KCNH2RPS6KB1PDPK1FLT3
SCHEMBL3082514 0.90 CHEK1 (1.00) CHEK1KCNH2RPS6KB1PDPK1AURKA
SCHEMBL3076131 0.90 CHEK1 (1.00) CHEK1KCNH2RPS6KB1PDPK1AURKA
SCHEMBL27798608 0.82 CHEK1 (0.69) CHEK1KCNH2JAK1JAK3CSF1R
SCHEMBL3080951 0.76 CHEK1 (0.61) CHEK1KCNH2JAK1JAK3BTK
SCHEMBL3977642 0.75 CHEK1 (0.59) CHEK1KCNH2RPS6KB1PDPK1JAK1

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 6 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
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 3112/4885RPS6KB1 418/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CHEK1 1/4885KCNH2 2899/4885RPS6KB1 1469/4885

“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.