SCHEMBL3089048

SCHEMBL3089048

NC(=O)Nc1cc(-c2cccc(F)c2F)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.59
IKBKB O14920 6/20 0.56
PTPN1 P18031 4/20 0.51
PTPRF P10586 1/20 0.51
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTPRA P18433 1/20 0.44

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
SCHEMBL3070348 0.81 IKBKB (0.82) IKBKBPTPN1PTPRFMEN1POLB
SCHEMBL3082478 0.81 CHEK1 (0.59) CHEK1IKBKBPTPN1PTPRFMEN1
SCHEMBL3075808 0.79 IKBKB (0.58) IKBKBPTPN1PTPRFMEN1POLB
SCHEMBL3075700 0.78 POLB (0.71) CHEK1IKBKBPTPN1PTPRFMEN1
SCHEMBL5554815 0.77 IKBKB (0.52) IKBKBPTPN1PTPRFPTPRA
SCHEMBL1564512 0.76 CHEK1 (1.00) CHEK1
SCHEMBL3082800 0.74 IKBKB (0.58) CHEK1IKBKBPTPN1PTPRFMEN1
SCHEMBL5554748 0.74 IKBKB (0.58) IKBKBPTPN1PTPRFMEN1POLB
SCHEMBL3076668 0.73 PTPN1 (0.75) IKBKBPTPN1PTPRFKMT2AMAPT
SCHEMBL5556377 0.73 IKBKB (0.57) IKBKBPTPN1PTPRFMEN1POLB

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 CHEK1 1/4885IKBKB 581/4885PTPN1 700/4885
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER CHEK2, ATM, CHEK1 CHEK1 3/4885IKBKB 644/4885PTPN1 178/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CHEK1 1/4885IKBKB 605/4885PTPN1 2301/4885
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS CHEK1, CHEK2, PARP1 CHEK1 1/4885IKBKB 520/4885PTPN1 1515/4885

“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.