SCHEMBL19203781

SCHEMBL19203781

CC(C)(C)c1ocnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IKBKB O14920 1/20 0.36
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PKM P14618 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KAT2B Q92831 1/20 0.31
AURKA O14965 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 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
SCHEMBL13862962 0.74
SCHEMBL11879772 0.71 ADORA2A (0.52) ADORA2ALMNAALDH1A1IKBKBGLA
SCHEMBL14529742 0.70
SCHEMBL8146130 0.69
SCHEMBL27586653 0.69 ADORA2A (0.46) ADORA2ALMNAALDH1A1GLAKDM4E
SCHEMBL15652808 0.69 ADORA2A (0.46) ADORA2ALMNAALDH1A1GLAKDM4E
SCHEMBL2592947 0.69 ADORA2A (0.46) ADORA2ALMNAALDH1A1GLAKDM4E
SCHEMBL2140831 0.69 ADORA2A (0.46) ADORA2ALMNAALDH1A1IKBKBGLA
SCHEMBL30509860 0.68 ADORA2A (0.45) ADORA2AGAARET
SCHEMBL15472482 0.65 IKBKB (0.40) LMNAALDH1A1IKBKBLRRK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ADORA2A 3885/4885LMNA 4121/4885ALDH1A1 4677/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ADORA2A 3885/4885LMNA 4121/4885ALDH1A1 4677/4885

“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.