SCHEMBL13745783

SCHEMBL13745783

C=Cc1ccc2ncc(C)n2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.40
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
POLB P06746 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK14 Q16539 2/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL13745167 0.82 TGFBR1 (0.40) TGFBR1CYP1A2CYP2C9ALDH1A1ADORA2A
SCHEMBL10238918 0.75 CYP1A2 (0.56) TGFBR1CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL4251225 0.73 TGFBR1 (0.62) TGFBR1ALDH1A1
SCHEMBL4260578 0.73 PIK3CA (0.46) TGFBR1
SCHEMBL4253849 0.72 CHEK1 (0.50)
SCHEMBL4252029 0.72 TGFBR1 (0.39) TGFBR1
SCHEMBL17754846 0.72 TGFBR1 (0.43) TGFBR1CYP1A2CYP2C9POLBADORA2A
SCHEMBL16404632 0.72 POLB (0.56) TGFBR1CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL12998303 0.72 PIK3CA (0.47) TGFBR1CYP1A2CYP2C9ADORA2A
SCHEMBL16368027 0.72 TGFBR1 (0.43) TGFBR1CYP1A2CYP2C9ALDH1A1POLB

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 TGFBR1 444/4885CYP1A2 2574/4885CYP2C9 1488/4885

“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.