SCHEMBL373722

SCHEMBL373722

CCc1cccc(-c2[nH]c(N(C)c3ccc(C#N)cc3)nc2-c2ccc3nccnc3c2)n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.67
MAPK14 Q16539 3/20 0.48
PRKD1 Q15139 1/20 0.48
MTOR P42345 1/20 0.43
RIPK2 O43353 1/20 0.38
KDR P35968 1/20 0.38
ACVR1B P36896 1/20 0.38
ADORA2B P29275 1/20 0.36

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
SCHEMBL373272 0.92 TGFBR1 (0.65) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL373659 0.88 TGFBR1 (0.64) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL373274 0.84 TGFBR1 (0.68) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL373624 0.83 TGFBR1 (0.68) TGFBR1MAPK14RIPK2ACVR1BADORA2B
SCHEMBL373673 0.80 TGFBR1 (0.62) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL373192 0.80 TGFBR1 (0.66) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL373723 0.80 TGFBR1 (1.00) TGFBR1MAPK14PRKD1
SCHEMBL373273 0.76 TGFBR1 (1.00) TGFBR1MAPK14PRKD1
SCHEMBL373383 0.75 TGFBR1 (0.66) TGFBR1MAPK14RIPK2ACVR1BADORA2B
SCHEMBL373888 0.73 TGFBR1 (0.37) 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 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 2025/4885PRKD1 4192/4885

“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.