SCHEMBL1584960

SCHEMBL1584960

CC1(C)OB(c2ccc3ncnc(NC4CC4)c3c2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
IRAK4 Q9NWZ3 14/20 0.52
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
HSD17B10 Q99714 3/20 0.51
USP2 O75604 3/20 0.51
CYP2C19 P33261 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
CYP2D6 P10635 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL19283431 0.94 IRAK4 (0.61) EGFRIRAK4CYP1A2CYP3A4HSD17B10
SCHEMBL21369973 0.94 EGFR (0.55) EGFRIRAK4CYP1A2CYP3A4HSD17B10
SCHEMBL17651871 0.91 EGFR (0.53) EGFRIRAK4CYP1A2CYP3A4HSD17B10
SCHEMBL17656931 0.88 IRAK4 (0.69) IRAK4
SCHEMBL19136050 0.88 IRAK4 (0.69) IRAK4
Hydrochloric Acid SCHEMBL19283380 0.87 IRAK4 (0.68) IRAK4
SCHEMBL13917265 0.84 CYP1A2 (0.48) IRAK4CYP1A2CYP3A4HSD17B10USP2
SCHEMBL7891357 0.79 EGFR (0.39) EGFRCYP1A2CYP3A4HSD17B10CYP2C19
SCHEMBL8033366 0.76 EGFR (0.55) EGFRIRAK4
SCHEMBL25168680 0.75 EGFR (0.55) EGFRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-09-05 US disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
US-20230113598-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. 2023-04-13 US disclosed
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 US disclosed
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 US disclosed
EP-3466929-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2019-04-10 EP disclosed
EP-3070077-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2018-11-28 EP disclosed
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
EP-3070077-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2016-09-21 EP disclosed
EP-2485731-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2016-05-11 EP disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
EP-2485731-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2012-08-15 EP disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 WO disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 EGFR 1276/4885IRAK4 864/4885CYP1A2 4353/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885
US-20230113598-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885IRAK4 1043/4885CYP1A2 4539/4885

“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.