SCHEMBL5555722

SCHEMBL5555722

NC(=O)Nc1sc(-c2ccc(F)cc2)nc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
IKBKB O14920 1/20 0.49
JAK2 O60674 1/20 0.49
EIF2AK2 P19525 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TBK1 Q9UHD2 11/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
IKBKE Q14164 8/20 0.43
ALDH1A1 P00352 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL5556366 0.87 TBK1 (0.55) IKBKBJAK2TBK1IKBKEALDH1A1
SCHEMBL5555769 0.86 KDM4E (0.51) MEN1KMT2ATDP1TBK1IKBKE
SCHEMBL5554758 0.86 TBK1 (0.56) TBK1IKBKEALDH1A1ALOX5
SCHEMBL5554860 0.83 CHEK1 (0.52) KMT2AIKBKBTBK1CSNK2A2CSNK2A1
SCHEMBL6015228 0.82 CHEK1 (0.47) MEN1KMT2AHDAC6IKBKBJAK2
SCHEMBL6503223 0.75 RARA (0.49) PTGDR2SMN1; SMN2ALOX5
SCHEMBL1563468 0.74 CHEK1 (0.67)
SCHEMBL5555715 0.74 PIN1 (0.47) IKBKBJAK2TBK1ALDH1A1
SCHEMBL5554762 0.73 LMNA (0.44) MEN1KMT2AIKBKBJAK2TBK1
SCHEMBL6015302 0.71 CHEK1 (0.49) KMT2ATBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US 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 (1 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 MEN1 3068/4885KMT2A 2078/4885HDAC6 1267/4885

“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.