SCHEMBL29676952

SCHEMBL29676952

Cc1cccc(-c2ncn(C)c2-c2ccc3nccn3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 1.00
TGFBR2 P37173 2/20 1.00
NSD3 Q9BZ95 1/20 0.42
DYRK1A Q13627 2/20 0.42

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
SCHEMBL18041895 1.00 TGFBR1 (1.00) TGFBR1TGFBR2NSD3DYRK1A
SCHEMBL13680666 0.82 TGFBR1 (0.68) TGFBR1TGFBR2DYRK1A
SCHEMBL18041777 0.79 TGFBR1 (1.00) TGFBR1TGFBR2
SCHEMBL15638648 0.79 TGFBR1 (0.65) TGFBR1TGFBR2DYRK1A
SCHEMBL18041609 0.76 TGFBR1 (0.61) TGFBR1TGFBR2DYRK1A
SCHEMBL17767477 0.76 TGFBR1 (0.61) TGFBR1TGFBR2DYRK1A
SCHEMBL18041724 0.75 TGFBR1 (1.00) TGFBR1TGFBR2NSD3
SCHEMBL29676949 0.75 TGFBR1 (1.00) TGFBR1TGFBR2NSD3
SCHEMBL17767480 0.75 TGFBR1 (0.60) TGFBR1TGFBR2DYRK1A
SCHEMBL18057147 0.74 TGFBR1 (0.58) TGFBR1TGFBR2DYRK1A

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-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885TGFBR2 2/4885NSD3 2674/4885

“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.