SCHEMBL17083418

SCHEMBL17083418

CC(C)(C)c1ccc(N2CCOCC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.45
LGMN Q99538 1/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC6A9 P48067 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
HSD11B1 P28845 1/20 0.43
PRKDC P78527 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL21718972 0.85 MAPT (0.41) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL12590434 0.85 GRIN1 (0.39) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL21718911 0.83 ALDH1A1 (0.42) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL14008971 0.82 MAPT (0.54) LGMNMAPTALDH1A1HTTKDM4E
SCHEMBL11947316 0.82 HTR3A (0.47) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL18798744 0.81 RORC (0.38) P2RY1LGMNMAPTALDH1A1HTT
SCHEMBL12781651 0.81 LGMN (0.45) LGMNMAPTALDH1A1HTTKDM4E
SCHEMBL26074518 0.81 ADRB1 (0.51) MAPTALDH1A1HTTTP53CYP1A2
SCHEMBL22363262 0.81 MAPT (0.43) LGMNMAPTALDH1A1HTTKDM4E
SCHEMBL13624077 0.78 MEN1 (0.52) LGMNMAPTALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-11-16 US disclosed
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-10-26 US disclosed
US-20210179600-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS INHIBITORS OF ASK1 Hepagene Therapeutics (HK) Limited (HK) 2021-06-17 US disclosed
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-07-16 US disclosed
US-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-13 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK P2RY1 1459/4885LGMN 3216/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK P2RY1 428/4885LGMN 4525/4885MAPT 501/4885
US-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF DPYD, ACR, QDPR P2RY1 55/4885LGMN 4610/4885MAPT 2338/4885
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF CYP2D6, DPYD, TPMT P2RY1 31/4885LGMN 4282/4885MAPT 2009/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT P2RY1 31/4885LGMN 4282/4885MAPT 2009/4885
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof DPYD, ACR, QDPR P2RY1 55/4885LGMN 4610/4885MAPT 2338/4885
US-20210179600-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS INHIBITORS OF ASK1 IRAK1, IRAK2, IRAK3 P2RY1 3243/4885LGMN 3664/4885MAPT 1667/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK P2RY1 1358/4885LGMN 3167/4885MAPT 438/4885

“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.