SCHEMBL5669017

SCHEMBL5669017

O=C(NC1CCNCC1)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ACKR3 P25106 1/20 0.40
CHEK1 O14757 6/20 0.39
RAB9A P51151 1/20 0.38
PTK2 Q05397 3/20 0.37
TP53 P04637 1/20 0.37
KHK P50053 1/20 0.35
MELK Q14680 3/20 0.35
KCNH2 Q12809 2/20 0.35
PLK4 O00444 1/20 0.35
GAK O14976 1/20 0.35
JAK2 O60674 1/20 0.35
ULK1 O75385 1/20 0.35
RPS6KA4 O75676 1/20 0.35
STK10 O94804 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL2958234 0.95 CHEK1 (0.44) ALDH1A1CHEK1PTK2MELKKCNH2
SCHEMBL5669375 0.89 ALDH1A1 (0.38) ALDH1A1ACKR3RAB9AKCNH2MCHR1
SCHEMBL5667930 0.89 ACKR3 (0.41) ALDH1A1ACKR3RAB9AMELKKCNH2
SCHEMBL5669317 0.89 ALDH1A1 (0.40) ALDH1A1TP53KHKMEN1GAA
SCHEMBL5669360 0.86 BTK (0.39) ALDH1A1ACKR3KCNH2BTKMCHR1
SCHEMBL5669394 0.86 BTK (0.39) ALDH1A1ACKR3KCNH2BTKMCHR1
SCHEMBL5668095 0.85 ALDH1A1 (0.38) ALDH1A1BTK
SCHEMBL5667484 0.85 ALDH1A1 (0.38) ALDH1A1BTK
SCHEMBL5667034 0.85 ALDH1A1 (0.38) ALDH1A1BTK
SCHEMBL3836653 0.83 ALDH1A1 (0.40) ALDH1A1ACKR3KCNH2MCHR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247269-A1 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2006-11-02 US claimed
US-20060247269-A1 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2006-11-02 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-20060247269-A1 Thienopyridone derivatives as kinase inhibitors MAPKAPK2, MAP3K6, MAP3K12 ALDH1A1 2307/4885ACKR3 934/4885CHEK1 349/4885

“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.