SCHEMBL4987905

SCHEMBL4987905

CN1CCN(C2CCN(CC=Cc3ccc(C4(N)N=C(N)NN4)cn3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 7/20 0.33
CTSK P43235 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAD52 P43351 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL30299362 1.00 GPR4 (0.33) GPR4CTSKKDM4ERAD52L3MBTL1
SCHEMBL30299376 0.92 GPR4 (0.38) GPR4CTSK
SCHEMBL30299399 0.90 GPR4 (0.37) GPR4CTSKKDM4ERAD52L3MBTL1
SCHEMBL30299380 0.84 PRKCQ (0.31)
SCHEMBL30299279 0.82 LTA4H (0.36) MAPT
SCHEMBL30299348 0.81 GPR4 (0.42) GPR4CTSKKDM4E
SCHEMBL30299385 0.80 KCNH2 (0.37)
SCHEMBL30299358 0.80 GPR4 (0.43) GPR4CTSKL3MBTL1
SCHEMBL30299386 0.79 SIGMAR1 (0.40) KDM4EMAPT
SCHEMBL30299374 0.79 SMN1; SMN2 (0.35) GPR4CTSKKDM4E

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-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-31 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-20080182862-A1 N3-HETEROARYL SUBSTITUTED TRIAZOLES AND N5-HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 GPR4 979/4885CTSK 1697/4885KDM4E 4225/4885

“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.