SCHEMBL3074554

SCHEMBL3074554

NC(=O)Nc1sc(-c2cc(F)cc(F)c2)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.62
JAK2 O60674 2/20 0.62
MEN1 O00255 1/20 0.62
EIF2AK2 P19525 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
JAK3 P52333 1/20 0.57
CHEK1 O14757 13/20 0.57
MAP4K4 O95819 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 1/20 0.49
PTPN5 P54829 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL3086954 0.87 IKBKB (0.82) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5550845 0.86 JAK2 (0.67) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL1563740 0.82 IKBKB (0.83) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5555733 0.82 IKBKB (0.61) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5555739 0.79 IKBKB (0.57) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5556421 0.78 JAK2 (0.63) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL3077226 0.78 CHEK1 (0.65) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5554692 0.78 IKBKB (0.56) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5551130 0.78 CHEK1 (0.60) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL3082800 0.77 IKBKB (0.58) IKBKBMEN1KMT2ACHEK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007517843-A 2007-07-05 JP claimed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US claimed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP claimed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 WO claimed
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA R&D (SE) 2010-09-30 US disclosed
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-09-23 US disclosed
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2167086-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS AstraZeneca AB (SE) 2010-03-31 EP disclosed
EP-2164485-A1 COMBINATION OF CHECKPONIT KINASE ( CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-03-24 EP 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
WO-2008146035-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA AB (SE) 2008-12-04 WO disclosed
WO-2008146036-A1 COMBINATION OF CHECKPONIT KINASE ( CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-12-04 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 IKBKB 581/4885JAK2 1330/4885MEN1 3068/4885
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER CHEK2, ATM, CHEK1 IKBKB 644/4885JAK2 214/4885MEN1 1044/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 IKBKB 605/4885JAK2 236/4885MEN1 1239/4885
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS CHEK1, CHEK2, PARP1 IKBKB 520/4885JAK2 640/4885MEN1 1690/4885

“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.