SCHEMBL31435906

SCHEMBL31435906

CN1CCC(n2cc(-c3cnc4[nH]cc(-c5cccc(C(F)F)c5)c4c3)c(F)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.43
IL2 P60568 2/20 0.43
TNIK Q9UKE5 9/20 0.42
KIT P10721 2/20 0.39
PAK1 Q13153 2/20 0.39
PAK4 O96013 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL31435907 0.91 TNIK (0.44) MAP4K1IL2TNIKPAK1PAK4
SCHEMBL31435905 0.91 TNIK (0.44) MAP4K1IL2TNIKPAK1PAK4
SCHEMBL31435981 0.89 MAP4K1 (0.47) MAP4K1IL2TNIKKIT
SCHEMBL31435986 0.82 KIT (0.47) MAP4K1IL2TNIKKITPAK1
SCHEMBL31435985 0.82 KIT (0.47) MAP4K1IL2TNIKKITPAK1
SCHEMBL31435910 0.81 MAP4K1 (0.50) MAP4K1IL2TNIKKIT
SCHEMBL31435943 0.80 KIT (0.52) MAP4K1IL2TNIKKITALK
SCHEMBL31435982 0.78 KIT (0.49) MAP4K1IL2TNIKKITALK
SCHEMBL31435923 0.77 PTPN11 (0.40) ALK
SCHEMBL31435903 0.76 KIT (0.51) MAP4K1IL2KITALK

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

“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.