SCHEMBL31396554

SCHEMBL31396554

COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.45
PRKCQ Q04759 2/20 0.39
XDH P47989 3/20 0.38
SLC22A12 Q96S37 2/20 0.37
PRKDC P78527 1/20 0.36
SCN9A Q15858 1/20 0.36
MAOB P27338 1/20 0.36
F11 P03951 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLQ O75417 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
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL31396624 0.91 PTPN11 (0.43) PTPN11XDH
SCHEMBL23246809 0.91 PTPN11 (0.43) PTPN11XDH
SCHEMBL15607356 0.89 PTPN11 (0.42) PTPN11XDH
SCHEMBL15607501 0.85 TBK1 (0.41) PTPN11
SCHEMBL15607353 0.85 TBK1 (0.49)
SCHEMBL1666221 0.85 PTGDR2 (0.47) PTPN11PRKCQSCN9AL3MBTL1
SCHEMBL31396556 0.84 PTPN11 (0.47) PTPN11SLC22A12PRKDCMAOBL3MBTL1
SCHEMBL31396616 0.83 PTPN11 (0.53) PTPN11L3MBTL1KDM4EALDH1A1
SCHEMBL15554915 0.83 PTPN11 (0.43) PTPN11XDHMAOB
SCHEMBL16186658 0.83 NR1I2 (0.42) PTPN11L3MBTL1CYP3A4DRD2SLC6A2

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-20240425499-A1 TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2024-12-26 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-20240425499-A1 TYRO3 INHIBITORS TYRO3, TYR, TH PTPN11 80/4885PRKCQ 1605/4885XDH 168/4885

“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.