SCHEMBL338527

SCHEMBL338527

CNC(=O)[C@H]1C[C@H]2C[C@@H](C2(C)C)[C@@]1(C)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PSMB5 P28074 2/20 0.32
GAA P10253 1/20 0.30
BTK Q06187 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
SCHEMBL338526 1.00 MEN1 (0.37) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL338528 1.00 MEN1 (0.37) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL3375121 0.77 MEN1 (0.38) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL3398243 0.77 MEN1 (0.38) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL3389134 0.77 MEN1 (0.38) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL30124181 0.64 MEN1 (0.37) MEN1MAPK1KMT2AGAABTK
SCHEMBL3375329 0.63 MEN1 (0.35) MEN1MAPK1KMT2APSMB5BTK
Ammonia Solution, Strong SCHEMBL28412752 0.63 MEN1 (0.47) MEN1MAPK1KMT2AGAABTK
SCHEMBL24459163 0.62 MEN1 (0.44) MEN1MAPK1KMT2AGAABTK
SCHEMBL31333338 0.61 BTK (0.55) KMT2AGAABTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563559-B2 Pinane-substituted pyrimidinediamine derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-20120088768-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-8097630-B2 Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the dthe activity of the receptor protein tyrosine kinase Axl. Methods of using erivatives are disclosed as being useful in inhibiting activity of enzyme RIGEL PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 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 (2 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-20120088768-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 MEN1 4368/4885MAPK1 296/4885KMT2A 2954/4885
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK MEN1 4367/4885MAPK1 333/4885KMT2A 3115/4885

“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.