SCHEMBL13651083

SCHEMBL13651083

C=C1OB(c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)OC1=C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PTPN11 Q06124 1/20 0.39
▸ HTT P42858 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ EED O75530 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR7 P34969 2/20 0.33

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
SCHEMBL12836367 0.88 TSHR (0.41) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL1516665 0.88 TSHR (0.44) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL12763220 0.84 TSHR (0.53) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL1516730 0.83 TSHR (0.50) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL1516591 0.81 TSHR (0.53) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL13010696 0.81 TSHR (0.50) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL1516738 0.80 TSHR (0.48) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL11968406 0.79 PTPN11 (0.40) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL11968522 0.79 PTPN11 (0.38) TSHRSMN1; SMN2MAPTPTPN11HTT
SCHEMBL16023217 0.78 PTPN11 (0.45) TSHRSMN1; SMN2MAPTPTPN11HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601839-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS INC. (US) 2009-10-13 — — US disclosed
US-7361764-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 — — US disclosed
US-7361763-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 — — US disclosed
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine SGX PHARMACEUTICALS, INC. (US) 2007-02-22 — — 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-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine MAP3K20, MAP4K2, MAP3K6 TSHR 1281/4885SMN1; SMN2 1879/4885MAPT 1659/4885

“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.

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