SCHEMBL362445

SCHEMBL362445

COc1cc(C(C)=O)c(N)cc1OCCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP2D6 P10635 3/20 0.50
TSHR P16473 2/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
CYP2C9 P11712 1/20 0.47
KDR P35968 4/20 0.47
AXL P30530 1/20 0.46
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 3/20 0.46
EGFR P00533 3/20 0.46
HTR4 Q13639 2/20 0.46
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46

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
SCHEMBL5502433 0.91 LMNA (0.55) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL3284976 0.91 LMNA (0.55) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL3471214 0.90 LMNA (0.56) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL3711173 0.90 LMNA (0.56) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL6442660 0.87 LMNA (0.51) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL3534600 0.87 LMNA (0.51) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL14667304 0.85 HTR1A (0.47) KDM4ETDP1CYP2D6TSHRKEAP1
SCHEMBL361837 0.83 KDM4E (0.58) LMNAKDM4ETDP1CYP2D6TSHR
SCHEMBL19260705 0.80 HTR4 (0.56) CYP2D6ALDH1A1HTR4MEN1CYP3A4
SCHEMBL2926517 0.80 HTR4 (0.56) CYP2D6HTR1AALDH1A1HTR4MEN1

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 35 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
US-8314232-B2 Preparation of a quinolinyloxydiphenylcyclopropanedicarboxamide GLAXOSMITHKLINE LLC (US) 2012-11-20 US disclosed
US-8314232-B2 Preparation of a quinolinyloxydiphenylcyclopropanedicarboxamide GLAXOSMITHKLINE LLC (US) 2012-11-20 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-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-2012044577-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-2012044577-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
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

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 LMNA 1100/4885KDM4E 4552/4885TDP1 2361/4885
US-20140256938-A1 Process for Preparing Quinoline Derivatives C5, C1S, C1R LMNA 1025/4885KDM4E 4568/4885TDP1 2413/4885
US-20100081805-A1 Preparation of a Quinolinyloxydiphenylcyclopropanedicarboxamide QDPR, CBR3, NQO2 LMNA 2416/4885KDM4E 1032/4885TDP1 3247/4885

“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.