SCHEMBL4181489

SCHEMBL4181489

Cc1ccc(Oc2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)c(C)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.58
ALDH1A1 P00352 1/20 0.53
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
ERBB2 P04626 2/20 0.45
PTK6 Q13882 2/20 0.45
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43

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
SCHEMBL3953868 0.82 TGFBR1 (0.79) TGFBR1CCNT1CDK9
SCHEMBL4170371 0.81 TGFBR1 (0.71) TGFBR1ALDH1A1MEN1KMT2A
SCHEMBL4181731 0.80 TGFBR1 (0.63) TGFBR1ALDH1A1
SCHEMBL3948197 0.78 TGFBR1 (0.65) TGFBR1MEN1KMT2ACCNT1CDK1
SCHEMBL4184161 0.77 TGFBR1 (0.61) TGFBR1ALDH1A1KMT2A
SCHEMBL29025269 0.76 KMT2A (0.55) ALDH1A1MEN1KMT2AATMERBB2
SCHEMBL3945858 0.76 TGFBR1 (0.54) TGFBR1
SCHEMBL4040119 0.75 TGFBR1 (0.67) TGFBR1
SCHEMBL4174543 0.74 TGFBR1 (0.82) TGFBR1
SCHEMBL3952724 0.74 TGFBR1 (0.55) TGFBR1

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885ALDH1A1 163/4885RXFP1 91/4885

“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.