SCHEMBL823576

SCHEMBL823576

Nc1n[nH]c2cccc(N3CCOCC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.48
▸ GAA P10253 3/20 0.47
▸ PDPK1 O15530 2/20 0.47
▸ MAP2K1 Q02750 2/20 0.44
▸ CSF1R P07333 3/20 0.44
▸ ABL1 P00519 3/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ BCR P11274 2/20 0.44
▸ BRAF P15056 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ KDR P35968 3/20 0.43
▸ KIT P10721 1/20 0.43
▸ JAK2 O60674 3/20 0.42
▸ LRRK2 Q5S007 4/20 0.41
▸ LCK P06239 2/20 0.41
▸ PRKACA P17612 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ AURKA O14965 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
SCHEMBL16680746 0.72 PDPK1 (0.53) FGFR1GAAPDPK1MAP2K1CSF1R
SCHEMBL823558 0.72 KDR (0.44) FGFR1GAAMAP2K1CSF1RABL1
SCHEMBL13810905 0.72 PDPK1 (0.49) FGFR1GAAPDPK1MAP2K1CSF1R
SCHEMBL9059591 0.71 MAPT (0.52) GAADHFRNCF1MEN1ALDH1A1
SCHEMBL8342395 0.71 MAPT (0.59) FGFR1PDPK1MAP2K1CSF1RFLT3
SCHEMBL31602613 0.71 MAPK1 (0.42) FGFR1LRRK2TP53MEN1ALDH1A1
SCHEMBL4435301 0.69 LGMN (0.50) GAADHFRNCF1MEN1ALDH1A1
SCHEMBL16681387 0.69 GAA (0.49) FGFR1GAAPDPK1MAP2K1CSF1R
SCHEMBL16681120 0.69 PDPK1 (0.49) FGFR1GAAPDPK1MAP2K1CSF1R
SCHEMBL823332 0.68 ALDH1A1 (0.48) GAADHFRNCF1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109879827-B Indazole derivative and application thereof 陕西理工大学 2022-05-31 — — CN disclosed
CN-108558763-B Indazole-containing chalcone derivative and application thereof 辽宁大学 2021-08-24 — — CN disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 — — US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 — — US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 — — US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 — — US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 — — US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 — — US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 — — US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 — — US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 — — US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 — — US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 — — EP disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 — — EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 — — US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 — — US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 — — US disclosed
EP-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 — — EP disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 — — WO disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 — — 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD FGFR1 1260/4885GAA 564/4885PDPK1 2503/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD FGFR1 1260/4885GAA 564/4885PDPK1 2503/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD FGFR1 1260/4885GAA 564/4885PDPK1 2503/4885

“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.

Send feedback