SCHEMBL373383

SCHEMBL373383

CCc1cccc(-c2[nH]c(N(C)c3cccc(C#N)c3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.66
MAPK14 Q16539 3/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
RIPK2 O43353 1/20 0.44
ACVR1B P36896 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL373624 0.92 TGFBR1 (0.68) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL415954 0.89 TGFBR1 (0.63) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL373361 0.84 TGFBR1 (0.67) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373272 0.83 TGFBR1 (0.65) TGFBR1MAPK14RIPK2ACVR1BADORA2B
SCHEMBL373508 0.81 TGFBR1 (0.65) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL414478 0.81 TGFBR1 (0.69) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373384 0.79 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL373250 0.79 TGFBR1 (0.42) TGFBR1
SCHEMBL250242 0.78 TGFBR1 (0.55) TGFBR1MAPK14
SCHEMBL373625 0.77 TGFBR1 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP 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-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885MAPK14 2025/4885MAPK13 2930/4885

“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.