SCHEMBL1623656

SCHEMBL1623656

CC(=O)c1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.45
ABL1 P00519 2/20 0.45
EGFR P00533 2/20 0.45
HCK P08631 2/20 0.45
SRC P12931 2/20 0.45
KDR P35968 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CG P48736 2/20 0.45
EPHB4 P54760 2/20 0.45
PRKDC P78527 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
GPR119 Q8TDV5 1/20 0.40
BUB1 O43683 1/20 0.39
TUBB1 Q9H4B7 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NOTUM Q6P988 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL6394140 0.89 PIK3CD (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL1057530 0.86 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL30066410 0.86 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL5339277 0.85 PIK3CD (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL13262833 0.83 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1468880 0.83 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL3387968 0.83 CA12 (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL1468882 0.83 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL1881676 0.83 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.82 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
CN-104136431-A PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO 2014-11-05 CN disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
EP-1682553-B1 THIENOPYRAZOLES AVENTIS PHARMA INC (US) 2010-05-19 EP disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 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 (5 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-20150152112-A1 COMPOUNDS F11, F12, F10 PIK3CD 4229/4885ABL1 1164/4885EGFR 1240/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 PIK3CD 4229/4885ABL1 1164/4885EGFR 1240/4885
US-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 PIK3CD 527/4885ABL1 106/4885EGFR 1082/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 PIK3CD 3594/4885ABL1 1519/4885EGFR 2889/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 PIK3CD 510/4885ABL1 75/4885EGFR 1020/4885

“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.