SCHEMBL16440141

SCHEMBL16440141

Cc1ccc(N2CCN(C3COC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
ADRB1 P08588 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RORC P51449 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
ESRRG P62508 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL12082440 0.84 AKR1C3 (0.51) AKR1C3ADRB1KMT2AMEN1L3MBTL1
SCHEMBL81591 0.83 L3MBTL3 (0.57) AKR1C3ADRB1KMT2AMEN1L3MBTL1
SCHEMBL16440196 0.82 AKR1C3 (0.47) AKR1C3ADRB1KMT2AMEN1L3MBTL1
SCHEMBL24680803 0.82 AKR1C3 (0.49) AKR1C3KMT2AMEN1RORCL3MBTL1
SCHEMBL12005505 0.82 MAPT (0.52) KMT2AMEN1RORCL3MBTL1L3MBTL3
SCHEMBL16292255 0.82 AKR1C3 (0.49) AKR1C3KMT2AMEN1RORCL3MBTL1
SCHEMBL16437212 0.81 GRIN2B (0.59) RORCL3MBTL1L3MBTL3ESRRGGAA
SCHEMBL17306124 0.81 RORC (0.46) KMT2ARORCL3MBTL1L3MBTL3ESRRG
SCHEMBL17320483 0.81 RORC (0.49) KMT2AMEN1RORCL3MBTL1L3MBTL3
SCHEMBL16437222 0.81 MAPT (0.45) KMT2AMEN1RORCL3MBTL1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 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 (4 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885ADRB1 4538/4885KMT2A 1865/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN AKR1C3 2321/4885ADRB1 3623/4885KMT2A 850/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AKR1C3 4037/4885ADRB1 4538/4885KMT2A 1865/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN AKR1C3 2345/4885ADRB1 3697/4885KMT2A 930/4885

“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.