SCHEMBL20609558

SCHEMBL20609558

CCCCC(C)(CC)c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.31
▸ AR P10275 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
SCHEMBL22023766 0.81 TLR8 (0.33) —
SCHEMBL20927014 0.78 CASP3 (0.37) RAB9ANPC1SMN1; SMN2
SCHEMBL26836559 0.76 CNR2 (0.37) GAA
SCHEMBL20047718 0.76 ALDH1A1 (0.31) —
SCHEMBL21719396 0.74 — —
SCHEMBL21236005 0.74 ESR1 (0.40) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL24065699 0.74 RAB9A (0.34) RAB9ANPC1GBA1NFKB1NFKB2
SCHEMBL19646073 0.73 KDM4E (0.38) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL18760495 0.73 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL25825965 0.73 KDM4E (0.31) —

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-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 — — 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-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK RAB9A 2200/4885NPC1 4152/4885GBA1 1948/4885

“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.

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