SCHEMBL18256809

SCHEMBL18256809

Cc1cnc(OCC(F)(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
GLP1R P43220 1/20 0.33
KDM1A O60341 1/20 0.31

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
SCHEMBL27989203 0.78 L3MBTL1 (0.32) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL21772742 0.77 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL16854931 0.77 CCNE1 (0.35) CNR2ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL26375259 0.76 NOS1 (0.40) NOS1ALDH1A1TP53HTTGLP1R
SCHEMBL8000380 0.74 L3MBTL1 (0.32) CNR2ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL16422609 0.74 L3MBTL1 (0.35) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL12392331 0.74 MEN1 (0.33) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL20559395 0.74 MEN1 (0.33) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL20559538 0.74 MEN1 (0.33) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL2186354 0.74 L3MBTL1 (0.39) CNR2ALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 EP disclosed
WO-2020038394-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR 南京明德新药研发有限公司 2020-02-27 WO disclosed
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G NOS1 3370/4885CNR2 181/4885ALDH1A1 2576/4885

“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.