SCHEMBL4253156

SCHEMBL4253156

OCc1ccc2ncc(F)n2c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.41
TGFBR1 P36897 2/20 0.40
CHEK1 O14757 2/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
TYR P14679 1/20 0.35
NTRK1 P04629 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34

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
SCHEMBL22095365 0.82 KEAP1 (0.46) FYNTGFBR1CHEK1CHEK2ABL1
SCHEMBL4253252 0.79 FYN (0.40) FYNCHEK1CHEK2ABL1TYR
SCHEMBL4258498 0.79 FYN (0.40) FYNCHEK1CHEK2ABL1TYR
SCHEMBL18041661 0.72 PIK3CA (0.47) TGFBR1
SCHEMBL31251397 0.70 ADORA3 (0.47) FYNCHEK1CHEK2ABL1TYR
SCHEMBL22095679 0.68 FLT3 (0.41) TGFBR1
SCHEMBL4249759 0.68 DYRK1A (0.38) TGFBR1
SCHEMBL2255937 0.67 ACVRL1 (0.44) CHEK1
SCHEMBL22095711 0.67 LDHA (0.33) TGFBR1
SCHEMBL13873982 0.66 FYN (0.55) FYNCHEK1CHEK2ABL1

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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A FYN 115/4885TGFBR1 444/4885CHEK1 553/4885

“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.