SCHEMBL31435909

SCHEMBL31435909

COc1ccc(-c2c[nH]c3ncc(-c4cnn(C5CCN(C)CC5)c4)cc23)cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.55
MAP4K1 Q92918 5/20 0.54
IL2 P60568 4/20 0.54
SIK1 P57059 1/20 0.54
SIK3 Q9Y2K2 1/20 0.54
PAK1 Q13153 5/20 0.54
PAK4 O96013 1/20 0.52
MAP3K11 Q16584 2/20 0.50
PDPK1 O15530 1/20 0.47
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
RET P07949 1/20 0.47
PLCG1 P19174 1/20 0.47
TDO2 P48775 1/20 0.46

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
SCHEMBL30365674 0.91 SIK1 (0.56) MAP4K1IL2SIK1SIK3PAK1
SCHEMBL21592674 0.90 MAP3K11 (0.61) TNIKMAP4K1IL2SIK1SIK3
SCHEMBL31435910 0.86 MAP4K1 (0.50) TNIKMAP4K1IL2SIK1SIK3
SCHEMBL31435936 0.86 MAP3K11 (0.53) SIK1SIK3PAK1PAK4MAP3K11
SCHEMBL31435931 0.85 MAP4K1 (0.51) TNIKMAP4K1IL2MAP3K11DYRK1A
SCHEMBL31435918 0.85 MAP4K1 (0.51) TNIKMAP4K1IL2MAP3K11DYRK1A
SCHEMBL31435942 0.85 MAP4K1 (0.52) MAP4K1IL2MAP3K11
SCHEMBL31435902 0.85 MAP4K1 (0.50) TNIKMAP4K1IL2PAK1MAP3K11
SCHEMBL31435967 0.84 MAP4K1 (0.51) TNIKMAP4K1IL2MAP3K11DYRK1A
SCHEMBL31435975 0.83 MAP4K1 (0.52) TNIKMAP4K1IL2MAP3K11DYRK1A

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 TNIK 2198/4885MAP4K1 438/4885IL2 4619/4885

“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.