SCHEMBL31435971

SCHEMBL31435971

COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(-c4cn(C5CCN(C)CC5)nc4Cl)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MTOR P42345 7/20 0.36
KRAS P01116 1/20 0.35
PIK3CA P42336 6/20 0.34
BRD4 O60885 3/20 0.34
RET P07949 1/20 0.34
ATM Q13315 2/20 0.33
ATR Q13535 2/20 0.33
HTR6 P50406 1/20 0.33
ACVR1 Q04771 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
SCHEMBL31435926 0.92 PTPN11 (0.43) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435963 0.92 PTPN11 (0.43) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435930 0.92 PTPN11 (0.43) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435955 0.91 PTPN11 (0.42) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435970 0.89 PTPN11 (0.43) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435949 0.87 PTPN11 (0.43) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435901 0.87 PTPN11 (0.46) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435960 0.86 PTPN11 (0.41) PTPN11CYP3A4DRD2SLC6A2HTR2A
SCHEMBL31435899 0.85 KCNH2 (0.45) PTPN11KCNH2CYP3A4DRD2SLC6A2
SCHEMBL31435954 0.83 PTPN11 (0.43) PTPN11KCNH2MTORKRASPIK3CA

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 3473/4885CYP3A4 776/4885

“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.