SCHEMBL5550880

SCHEMBL5550880

Cc1nc(C(=O)O)c(NC(N)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.41
MAPK1 P28482 1/20 0.36
LDHA P00338 3/20 0.35
TNIK Q9UKE5 1/20 0.35
RAB9A P51151 4/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
IKBKB O14920 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
GRM5 P41594 3/20 0.33
HTT P42858 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL31138631 0.83 NPSR1 (0.44) NTRK1MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL2825787 0.79 NTRK1 (0.40) NTRK1LDHARAB9ARECQLNPC1
SCHEMBL1194098 0.79 MAPK1 (0.55) MAPK1NPC1SMN1; SMN2
SCHEMBL6015237 0.79 KDM4E (0.49) SMN1; SMN2CHEK1
SCHEMBL2830086 0.76 NPC1 (0.56) NTRK1MAPK1TNIKRAB9ANPC1
SCHEMBL2521302 0.76 CA1 (0.40) NTRK1RAB9ANPC1
SCHEMBL5554758 0.76 TBK1 (0.56) TNIKRAB9AIKBKETBK1
SCHEMBL2830184 0.74 NTRK1 (0.36) NTRK1RAB9ANPC1SMN1; SMN2
SCHEMBL5554762 0.74 LMNA (0.44) TNIKRAB9ANPC1SMN1; SMN2IKBKB
SCHEMBL1563108 0.74 CNR1 (0.38) HTT

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 NTRK1 771/4885MAPK1 172/4885LDHA 3742/4885

“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.