SCHEMBL31435901

SCHEMBL31435901

COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(-c4cnn(C5CCN(C)CC5)c4)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
KCNH2 Q12809 2/20 0.46
RET P07949 1/20 0.43
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
FGFR3 P22607 2/20 0.41
DYRK1A Q13627 8/20 0.40
GSK3B P49841 7/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CYP3A4 P08684 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PAK1 Q13153 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
SCHEMBL30365147 0.91 PTPN11 (0.46) PTPN11KCNH2RETPAK1MTOR
SCHEMBL31435962 0.91 NTRK1 (0.47) PTPN11KCNH2RETFGFR1FGFR2
SCHEMBL31435963 0.89 PTPN11 (0.43) PTPN11KCNH2RETDYRK1AGSK3B
SCHEMBL31436004 0.89 PTPN11 (0.49) PTPN11KCNH2RETPAK1MTOR
SCHEMBL31435926 0.88 PTPN11 (0.43) PTPN11KCNH2RETCYP3A4DRD2
SCHEMBL31435998 0.88 PTPN11 (0.46) PTPN11KCNH2RETPAK1MTOR
SCHEMBL31435930 0.88 PTPN11 (0.43) PTPN11KCNH2RETCYP3A4DRD2
SCHEMBL31435949 0.88 PTPN11 (0.43) PTPN11KCNH2RETFGFR1FGFR2
SCHEMBL30365695 0.88 PTPN11 (0.45) PTPN11KCNH2RETFGFR1FGFR2
SCHEMBL31435971 0.87 PTPN11 (0.42) PTPN11KCNH2RETCYP3A4DRD2

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-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2025-01-16 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-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS TYRO3, TH, TYR PTPN11 65/4885KCNH2 3473/4885RET 13/4885

“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.