SCHEMBL29677080

SCHEMBL29677080

Cc1nc(-c2ccc(F)c(C)c2)c(-c2ccc3nccn3c2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.51
GSK3B P49841 2/20 0.49
MAPK14 Q16539 2/20 0.49
DYRK1A Q13627 2/20 0.43
GRM2 Q14416 1/20 0.43
TGFBR2 P37173 1/20 0.42
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL18041976 1.00 TGFBR1 (0.51) TGFBR1GSK3BMAPK14DYRK1AGRM2
SCHEMBL18041918 0.92 TGFBR1 (0.61) TGFBR1GSK3BMAPK14DYRK1ATGFBR2
SCHEMBL18041698 0.87 TGFBR1 (0.53) TGFBR1GSK3BMAPK14DYRK1ATGFBR2
SCHEMBL18041870 0.87 TGFBR1 (0.56) TGFBR1GSK3BMAPK14DYRK1AGRM2
SCHEMBL29676985 0.87 TGFBR1 (0.56) TGFBR1GSK3BMAPK14DYRK1AGRM2
SCHEMBL18041603 0.85 TGFBR1 (0.59) TGFBR1GSK3BMAPK14DYRK1ATGFBR2
SCHEMBL18041605 0.83 TGFBR1 (0.59) TGFBR1MAPK14DYRK1ATGFBR2PDE4A
SCHEMBL15638144 0.79 TGFBR1 (0.59) TGFBR1DYRK1AGRM2TGFBR2PDE4A
SCHEMBL19806362 0.78 TGFBR1 (0.47) TGFBR1DYRK1AGRM2TGFBR2PDE4A
SCHEMBL18041938 0.77 TGFBR1 (0.57) TGFBR1GSK3BMAPK14DYRK1A

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 1/4885GSK3B 33/4885MAPK14 2266/4885

“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.