SCHEMBL2679359

SCHEMBL2679359

O=S(=O)(O)CCCn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.65
MAPK14 Q16539 10/20 0.65
THRB P10828 2/20 0.43
TGFBR2 P37173 1/20 0.41
ABL2 P42684 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
GRM4 Q14833 2/20 0.37
NPC1 O15118 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
BRD4 O60885 1/20 0.35
BMP4 P12644 1/20 0.35

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
SCHEMBL2050975 0.85 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5188286 0.84 TGFBR1 (0.70) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186629 0.84 TGFBR1 (0.69) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186721 0.84 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5091553 0.83 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2049297 0.82 TGFBR1 (0.61) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5090776 0.82 TGFBR1 (0.61) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2045365 0.82 TGFBR1 (0.76) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186668 0.82 TGFBR1 (0.66) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5187792 0.82 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2ABL2

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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885

“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.