SCHEMBL415065

SCHEMBL415065

O=C(Nc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)C1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.70
MAPK14 Q16539 4/20 0.47
MAPK8 P45983 3/20 0.47
MAPK10 P53779 3/20 0.47
LRRK2 Q5S007 1/20 0.46
ADORA2A P29274 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PIP5K1C O60331 4/20 0.43
PIK3CA P42336 4/20 0.43
PIP5K1B O14986 2/20 0.43
PIP5K1A Q99755 2/20 0.43
PIK3CD O00329 1/20 0.41
PDGFRB P09619 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PDK1 Q15118 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL373524 0.82 TGFBR1 (0.70) TGFBR1MAPK14LRRK2
SCHEMBL29358505 0.82 TGFBR1 (0.70) TGFBR1MAPK14LRRK2
Water SCHEMBL29649719 0.81 TGFBR1 (0.69) TGFBR1MAPK14LRRK2
Water SCHEMBL21633982 0.81 TGFBR1 (0.69) TGFBR1MAPK14LRRK2
Water SCHEMBL29649721 0.81 TGFBR1 (0.69) TGFBR1MAPK14LRRK2
SCHEMBL31121882 0.81 TGFBR1 (0.46) TGFBR1MAPK14MAPK8PIK3CD
SCHEMBL6179278 0.80 TGFBR1 (0.50) TGFBR1ADORA2AADORA1
SCHEMBL6179158 0.80 TGFBR1 (0.53) TGFBR1MAPK14
SCHEMBL372594 0.79 TGFBR1 (0.71) TGFBR1MAPK14LRRK2
SCHEMBL21932532 0.78 TGFBR1 (0.69) TGFBR1MAPK14LRRK2

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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2022-08-11 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885MAPK14 2643/4885MAPK8 1946/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885MAPK14 2025/4885MAPK8 2362/4885

“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.