SCHEMBL31435944

SCHEMBL31435944

COc1nn(C2CN(C)C2)cc1-c1cnc2c(c1)c(-c1cccc(F)c1)cn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
BRD4 O60885 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.35
CYP3A4 P08684 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
CHRM3 P20309 3/20 0.34
HTR6 P50406 3/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 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
SCHEMBL31435983 0.95 PTPN11 (0.40) PTPN11PIM1PIM2BRD4DRD2
SCHEMBL31435939 0.94 HTR6 (0.40) PTPN11PIM1PIM2BRD4L3MBTL1
SCHEMBL31435916 0.93 PTPN11 (0.40) PTPN11PIM1PIM2BRD4L3MBTL1
SCHEMBL31435920 0.92 PTPN11 (0.41) PTPN11PIM1PIM2BRD4L3MBTL1
SCHEMBL31435978 0.91 PTPN11 (0.39) PTPN11PIM1PIM2BRD4L3MBTL1
SCHEMBL30365155 0.90 PTPN11 (0.40) PTPN11PIM1PIM2BRD4L3MBTL1
SCHEMBL31435979 0.89 PTPN11 (0.40) PTPN11PIM1PIM2L3MBTL1DRD2
SCHEMBL30365472 0.89 PTPN11 (0.38) PTPN11PIM1PIM2L3MBTL1DRD2
SCHEMBL31435977 0.88 PTPN11 (0.39) PTPN11PIM1PIM2L3MBTL1DRD2
SCHEMBL31435996 0.88 HTR6 (0.39) PTPN11PIM1PIM2L3MBTL1DRD2

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 65/4885PIM1 1918/4885PIM2 2097/4885

“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.