SCHEMBL3077207

SCHEMBL3077207

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CHEK1 O14757 2/20 0.53
KCNH2 Q12809 1/20 0.53
BTK Q06187 14/20 0.52
IKBKB O14920 1/20 0.50
PARP1 P09874 1/20 0.49
CDC7 O00311 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCNA1 P78396 1/20 0.48
PLK4 O00444 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
PRKCG P05129 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47

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
SCHEMBL16337074 0.84 BRD4 (0.52) BRD4CHEK1KCNH2BTKCDC7
SCHEMBL16337199 0.84 BTK (0.67) BTKKITPKN2
SCHEMBL3064138 0.80 CDC7 (0.50) BRD4CHEK1KCNH2BTKCDC7
SCHEMBL16382686 0.75 BTK (0.48) BRD4CHEK1BTKPARP1PLK4
SCHEMBL4351487 0.74 BRD4 (0.68) BRD4IKBKBCDC7CCNA2CDK2
SCHEMBL6029606 0.73 DHODH (0.78) BRD4CHEK1BTKIKBKBPARP1
SCHEMBL16337642 0.73 BTK (0.65) CHEK1KCNH2BTKCDC7PLK4
SCHEMBL12423845 0.72 BRD4 (0.64) BRD4IKBKBPARP1CDC7CCNA2
SCHEMBL29709476 0.72 BTK (0.80) CHEK1KCNH2BTKCDC7
SCHEMBL16336391 0.72 BTK (0.80) CHEK1KCNH2BTKCDC7

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 8 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
CN-101687036-A CHK1 inhibitors with b cell depleting antibodies for the treatment of hematologic malignancies ASTRAZENECA AB 2010-03-31 CN 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 BRD4 785/4885CHEK1 1/4885KCNH2 3112/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 BRD4 24/4885CHEK1 1/4885KCNH2 2899/4885

“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.