SCHEMBL3269495

SCHEMBL3269495

Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
ABL1 P00519 2/20 0.47
EGFR P00533 2/20 0.47
HCK P08631 2/20 0.47
SRC P12931 2/20 0.47
KDR P35968 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 2/20 0.47
EPHB4 P54760 2/20 0.47
PRKDC P78527 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
TFPI2 P48307 1/20 0.45
FABP4 P15090 2/20 0.41
BUB1 O43683 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTR6 P50406 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL13247916 0.89 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL10193516 0.88 BUB1 (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.85 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL819797 0.84 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL2006239 0.84 OXER1 (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL18805035 0.84 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL1454498 0.84 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
Methane SCHEMBL6390810 0.84 HTR6 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL312329 0.84 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL29829168 0.84 OXER1 (0.50) 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 33 patents — showing the first 20. 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-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 WO disclosed
US-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2020-09-03 US disclosed
WO-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 WO disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 US disclosed
US-9758453-B2 One-component reagent for the fluoroalkylation reaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-09-12 US disclosed
US-20170158598-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-06-08 US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 US disclosed
US-20120022064-A1 DIHYDROQUINOLINONE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2011-01-27 US disclosed
EP-1349857-B1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2010-06-16 EP disclosed
US-7452894-B2 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-11-18 US disclosed
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-11-30 US disclosed
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-27 US disclosed
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO disclosed
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP 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 (9 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-20120022064-A1 DIHYDROQUINOLINONE DERIVATIVES PER2, CRY1, BACE1 PIK3CD 2546/4885ABL1 2726/4885EGFR 4837/4885
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 PIK3CD 1761/4885ABL1 337/4885EGFR 2283/4885
US-20060270691-A1 Purine derivatives as purinergic receptor antagonists CHRNA10, CHRNA5, CHRNA4 PIK3CD 2650/4885ABL1 3201/4885EGFR 3523/4885
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 PIK3CD 509/4885ABL1 111/4885EGFR 147/4885
US-20170158598-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS PIK3CD 480/4885ABL1 3506/4885EGFR 4579/4885
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 PIK3CD 3442/4885ABL1 90/4885EGFR 933/4885
US-20040102459-A1 Purine derivatives as purinergic receptor antagonists OPRL1, CNR1, CNR2 PIK3CD 2582/4885ABL1 3445/4885EGFR 3108/4885
US-20110021498-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY CHEK1, CHEK2, BUB1 PIK3CD 499/4885ABL1 345/4885EGFR 525/4885
US-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF MKI67, PKD1, ETV6 PIK3CD 1564/4885ABL1 112/4885EGFR 165/4885

“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.