SCHEMBL31436002

SCHEMBL31436002

Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C(F)F)c3)c3cc(-c4cn(C5CCNCC5)nc4F)cnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
MAP4K3 Q8IVH8 3/20 0.37
BRD4 O60885 4/20 0.35
HTR6 P50406 4/20 0.35
SOS1 Q07889 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MET P08581 1/20 0.33
GRK2 P25098 1/20 0.33
GRK5 P34947 1/20 0.33
JAK2 O60674 1/20 0.33
ALK Q9UM73 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
IRAK4 Q9NWZ3 1/20 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
SCHEMBL31435994 0.93 PTPN11 (0.40) PTPN11MAP4K3BRD4HTR6L3MBTL1
SCHEMBL31435990 0.92 PTPN11 (0.39) PTPN11MAP4K3BRD4HTR6L3MBTL1
SCHEMBL31435923 0.91 PTPN11 (0.40) PTPN11BRD4HTR6L3MBTL1ALK
SCHEMBL31435908 0.85 PTPN11 (0.41) PTPN11MAP4K3BRD4HTR6L3MBTL1
SCHEMBL31436001 0.84 PTPN11 (0.40) PTPN11BRD4HTR6L3MBTL1ALK
SCHEMBL30365155 0.84 PTPN11 (0.40) PTPN11MAP4K3BRD4HTR6L3MBTL1
SCHEMBL31435919 0.84 PTPN11 (0.43) PTPN11MAP4K3BRD4METGRK2
SCHEMBL31435904 0.83 PTPN11 (0.39) PTPN11BRD4HTR6L3MBTL1ALK
SCHEMBL31435977 0.81 PTPN11 (0.39) PTPN11MAP4K3HTR6L3MBTL1MET
SCHEMBL31435995 0.80 PTPN11 (0.39) PTPN11BRD4HTR6METGRK2

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 65/4885MAP4K3 262/4885BRD4 2456/4885

“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.