SCHEMBL3563733

SCHEMBL3563733

COC(=O)c1cc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)cc(Cl)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNA7 P36544 1/20 0.36
NR4A2 P43354 1/20 0.36
SCN9A Q15858 2/20 0.35
MAP4K1 Q92918 1/20 0.35
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 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
SCHEMBL1516677 0.91 PTPN11 (0.43) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL1516627 0.88 PTPN11 (0.47) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL3569080 0.86 PTPN11 (0.47) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL13342637 0.80 PTPN11 (0.51) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL3568791 0.80 PTPN11 (0.47) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL3568123 0.79 PTPN11 (0.48) PTPN11MAPTTSHRSMN1; SMN2MAP4K1
SCHEMBL3563287 0.79 PTPN11 (0.43) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL5140340 0.79 PTPN11 (0.42) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL13010217 0.79 PTPN11 (0.55) PTPN11MAPTTSHRSMN1; SMN2MEN1
SCHEMBL3561085 0.79 PTPN11 (0.44) PTPN11MAPTTSHRSMN1; SMN2MEN1

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-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 PTPN11 1303/4885MAPT 1385/4885TSHR 3000/4885

“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.