SCHEMBL3083629

SCHEMBL3083629

Cc1cc(C(=O)O)c(NC(N)=O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.50
JAK2 O60674 2/20 0.50
JAK3 P52333 1/20 0.50
CHEK1 O14757 8/20 0.49
MAP4K4 O95819 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 5/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
EIF2AK2 P19525 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 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
SCHEMBL11921318 0.87 IKBKB (0.59) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL21411372 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1NPSR1RXFP1
SCHEMBL6310194 0.82 LMNA (0.50) ALDH1A1LMNAMAPK1NPSR1RXFP1
SCHEMBL10534263 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1NPSR1RXFP1
SCHEMBL11466890 0.79 HPGD (0.50) ALDH1A1LMNAMAPK1NPSR1RXFP1
SCHEMBL5464054 0.79 ALDH1A1 (0.61) IKBKBALDH1A1LMNAMAPK1NPSR1
SCHEMBL5556399 0.79 IKBKB (0.46) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5551087 0.78 MAPK1 (0.53) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5554897 0.78 ALDH1A1 (0.60) IKBKBJAK2JAK3ALDH1A1LMNA
SCHEMBL3870328 0.78 SMN1; SMN2 (0.66) ALDH1A1LMNAMAPK1NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA R&D (SE) 2010-09-30 US claimed
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 claimed
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
EP-2714648-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-16 EP disclosed
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
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 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 1330/4885JAK3 1451/4885
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER CHEK2, ATM, CHEK1 IKBKB 644/4885JAK2 214/4885JAK3 335/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 IKBKB 605/4885JAK2 236/4885JAK3 562/4885
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS CHEK1, CHEK2, PARP1 IKBKB 520/4885JAK2 640/4885JAK3 845/4885

“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.