SCHEMBL21654897

SCHEMBL21654897

CC(C)(C)n1cnc2c(=O)[nH]c(NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TK1 P04183 1/20 0.40
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 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
SCHEMBL11986875 0.87 RAF1 (0.45) RAF1BRAFMEN1TSHRKMT2A
SCHEMBL13196024 0.85 RAF1 (0.43) RAF1BRAFMEN1TSHRKMT2A
SCHEMBL3139870 0.83 MEN1 (0.48) RAF1BRAFMEN1TSHRKMT2A
SCHEMBL26200096 0.81 NPC1 (0.51) MEN1TSHRKMT2ANPC1RAB9A
SCHEMBL25964378 0.78 MEN1 (0.55) MEN1TSHRKMT2ATK1POLB
SCHEMBL14548981 0.77 MEN1 (0.42) MEN1TSHRKMT2ATK1
SCHEMBL28472801 0.76 ROCK2 (0.47) RAF1BRAFMEN1KMT2ANPC1
SCHEMBL18349588 0.75 KDM4E (0.46) MEN1TSHRKMT2ATK1SMN1; SMN2
SCHEMBL3132950 0.75 MEN1 (0.46) MEN1TSHRKMT2ATK1
SCHEMBL26200092 0.75 MEN1 (0.42) MEN1TSHRKMT2ANPC1RAB9A

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-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2020-02-04 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-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) FANCI, PCNA, DNMT1 RAF1 4187/4885BRAF 2595/4885MEN1 528/4885

“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.