SCHEMBL415954

SCHEMBL415954

Cc1cccc(-c2[nH]c(N(C)c3cccc(C#N)c3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.63
MAPK14 Q16539 4/20 0.57
RIPK2 O43353 1/20 0.57
ACVR1B P36896 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
PRKD1 Q15139 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL373508 0.92 TGFBR1 (0.65) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373383 0.89 TGFBR1 (0.66) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL412135 0.83 TGFBR1 (0.64) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373673 0.82 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BPRKD1
SCHEMBL373624 0.81 TGFBR1 (0.68) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5503286 0.81 TGFBR1 (0.74) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL13998749 0.80 TGFBR1 (0.75) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373203 0.80 TGFBR1 (0.66) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL13998766 0.78 TGFBR1 (0.75) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL373664 0.78 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1

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 2643/4885RIPK2 1050/4885
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885MAPK14 2025/4885RIPK2 2625/4885

“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.