SCHEMBL31435977

SCHEMBL31435977

COc1nn(C2CCCNCC2)cc1-c1cnc2c(c1)c(-c1cccc(F)c1)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
MAP4K3 Q8IVH8 3/20 0.38
HTR6 P50406 4/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
SIK1 P57059 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33
KDM1A O60341 1/20 0.33
PAK1 Q13153 1/20 0.32
DRD2 P14416 1/20 0.32
BRAF P15056 1/20 0.32
MET P08581 1/20 0.32
PLAT P00750 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TGFBR1 P36897 2/20 0.32
RIPK2 O43353 1/20 0.32
KDR P35968 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL30365155 0.97 PTPN11 (0.40) PTPN11MAP4K3HTR6PIM1PIM2
SCHEMBL31435996 0.94 HTR6 (0.39) PTPN11MAP4K3HTR6PIM1PIM2
SCHEMBL31435979 0.93 PTPN11 (0.40) PTPN11MAP4K3HTR6PIM1PIM2
SCHEMBL31435920 0.90 PTPN11 (0.41) PTPN11MAP4K3HTR6PIM1PIM2
SCHEMBL31435978 0.89 PTPN11 (0.39) PTPN11HTR6PIM1PIM2PIK3CA
SCHEMBL31435990 0.89 PTPN11 (0.39) PTPN11MAP4K3HTR6PIM1PIM2
SCHEMBL31435916 0.89 PTPN11 (0.40) PTPN11HTR6PIM1PIM2PIK3CA
SCHEMBL31435944 0.88 PTPN11 (0.42) PTPN11HTR6PIM1PIM2PIK3CA
SCHEMBL31435939 0.88 HTR6 (0.40) PTPN11HTR6PIM1PIM2PIK3CA
SCHEMBL31435908 0.87 PTPN11 (0.41) PTPN11MAP4K3HTR6PAK1DRD2

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 262/4885HTR6 1132/4885

“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.