SCHEMBL899551

SCHEMBL899551

COc1cc2c(O)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.64
EHMT2 Q96KQ7 7/20 0.62
EHMT1 Q9H9B1 7/20 0.62
RET P07949 1/20 0.59
KIF5B P33176 1/20 0.59
SRC P12931 7/20 0.59
KDR P35968 5/20 0.56
EGFR P00533 1/20 0.56
MET P08581 1/20 0.55
KDM1A O60341 1/20 0.55
AURKA O14965 1/20 0.55

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
Hydrochloric Acid SCHEMBL900295 0.99 AXL (0.62) AXLEHMT2EHMT1RETKIF5B
SCHEMBL13380202 0.88 AXL (0.65) AXLEHMT2EHMT1RETKIF5B
SCHEMBL5097860 0.87 EGFR (0.64) AXLEHMT2EHMT1RETSRC
SCHEMBL903068 0.87 EGFR (0.64) AXLEHMT2EHMT1RETSRC
Hydrochloric Acid SCHEMBL6432089 0.86 EGFR (0.62) AXLEHMT2EHMT1RETSRC
SCHEMBL15889700 0.85 AXL (0.61) AXLEHMT2EHMT1SRCKDR
SCHEMBL14667305 0.85 AXL (0.47) AXLEHMT2EHMT1RETKIF5B
SCHEMBL25281864 0.84 SRC (0.66) AXLRETKIF5BSRCKDR
SCHEMBL5495221 0.84 SRC (0.66) AXLRETKIF5BSRCKDR
SCHEMBL21573102 0.84 AXL (0.61) AXLEHMT2EHMT1SRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768796-B1 PROCESS FOR PREPARING QUINOLINE DERIVATIVES EXELIXIS INC (US) 2019-11-20 EP disclosed
EP-2768796-B1 PROCESS FOR PREPARING QUINOLINE DERIVATIVES EXELIXIS INC (US) 2019-11-20 EP disclosed
US-9969692-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2018-05-15 US disclosed
US-9969692-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2018-05-15 US disclosed
US-20160229805-A1 Process for Preparing Quinoline Derivatives EXELIXIS, INC. 2016-08-11 US disclosed
US-20160229805-A1 Process for Preparing Quinoline Derivatives EXELIXIS, INC. 2016-08-11 US disclosed
US-9365516-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2016-06-14 US disclosed
US-9365516-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2016-06-14 US disclosed
US-20140256938-A1 Process for Preparing Quinoline Derivatives EXELIXIS, INC. 2014-09-11 US disclosed
US-20140256938-A1 Process for Preparing Quinoline Derivatives EXELIXIS, INC. 2014-09-11 US disclosed
WO-2012044574-A1 DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES EXELIXIS, INC. (US) 2012-04-05 WO disclosed
WO-2012009723-A1 C-MET MODULATOR PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2012-01-19 WO disclosed
EP-2350011-A1 METHODS OF PREPARING QUINOLINE DERIVATIVES Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2339918-A1 PREPARATION OF A QUINOLINYLOXYDIPHENYLCYCLOPROPANEDICARBOXAMIDE GlaxoSmithKline LLC (US) 2011-07-06 EP disclosed
WO-2010056960-A1 METHODS OF PREPARING QUINOLINE DERIVATIVES EXELIXIS INC. (US) 2010-05-20 WO disclosed
US-20100081805-A1 Preparation of a Quinolinyloxydiphenylcyclopropanedicarboxamide EXELIXIS, INC. 2010-04-01 US disclosed
US-20100081805-A1 Preparation of a Quinolinyloxydiphenylcyclopropanedicarboxamide EXELIXIS, INC. 2010-04-01 US disclosed
US-20100081805-A1 Preparation of a Quinolinyloxydiphenylcyclopropanedicarboxamide EXELIXIS, INC. 2010-04-01 US disclosed
WO-2010036831-A1 PREPARATION OF A QUINOLINYLOXYDIPHENYLCYCLOPROPANEDICARBOXAMIDE GLAXOSMITHKLINE LLC (US) 2010-04-01 WO disclosed
WO-2010036831-A1 PREPARATION OF A QUINOLINYLOXYDIPHENYLCYCLOPROPANEDICARBOXAMIDE GLAXOSMITHKLINE LLC (US) 2010-04-01 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-20160229805-A1 Process for Preparing Quinoline Derivatives C5, C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AXL 4217/4885EHMT2 4785/4885EHMT1 4458/4885
US-20140256938-A1 Process for Preparing Quinoline Derivatives C5, C1S, C1R AXL 4220/4885EHMT2 4790/4885EHMT1 4527/4885
US-20100081805-A1 Preparation of a Quinolinyloxydiphenylcyclopropanedicarboxamide QDPR, CBR3, NQO2 AXL 3026/4885EHMT2 3821/4885EHMT1 4297/4885

“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.