SCHEMBL20576786

SCHEMBL20576786

CC(C)(C)OC(=O)n1nc(N)cc1-c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ PIK3R1 P27986 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 6/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ F2 P00734 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ F12 P00748 1/20 0.39
▸ HPGD P15428 3/20 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
SCHEMBL22206164 0.79 NR1H2 (0.42) L3MBTL1KMT2AMAPT
SCHEMBL28485002 0.76 TUBB4A (0.44) L3MBTL1KMT2AMAPT
SCHEMBL2090136 0.76 SMARCA2 (0.39) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3500082 0.76 HDAC1 (0.41) GPR119MAPTKDM4EGABRA1GABRG2
SCHEMBL13425981 0.76 PTGS2 (0.46) ADORA2AADORA1PIK3R1PIK3CAHSD17B10
SCHEMBL3500812 0.75 TUBB4A (0.55) HSD17B10GPR119L3MBTL1KMT2AALDH1A1
SCHEMBL1856174 0.75 SMARCA2 (0.39) ADORA2AADORA1HSD17B10ALDH1A1ADORA3
SCHEMBL3502016 0.74 HDAC2 (0.45) L3MBTL1KMT2AMAPTKDM4E
SCHEMBL2089360 0.74 MAPT (0.52) L3MBTL1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL2091259 0.74 MAPT (0.42) L3MBTL1KMT2AMAPT

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
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 — — US disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 — — US disclosed
US-20180346451-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 — — 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-20180346451-A1 TRK INHIBITION NGFR, NGF, NTRK1 ADORA2A 2336/4885ADORA1 2428/4885PIK3R1 1615/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 ADORA2A 2159/4885ADORA1 2268/4885PIK3R1 1580/4885

“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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