SCHEMBL12469296

SCHEMBL12469296

COc1cc2c(Nc3ccc(N)cc3F)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.73
KDR P35968 9/20 0.63
EGFR P00533 6/20 0.63
FGFR1 P11362 5/20 0.63
FLT1 P17948 5/20 0.63
FLT4 P35916 3/20 0.63
EHMT2 Q96KQ7 4/20 0.60
EHMT1 Q9H9B1 4/20 0.60
SRC P12931 6/20 0.57
RET P07949 2/20 0.57
CIT O14578 1/20 0.57
GAK O14976 1/20 0.57
EPHB6 O15197 1/20 0.57
ABCC4 O15439 1/20 0.57
DAPK3 O43293 1/20 0.57
RIPK2 O43353 1/20 0.57
NR1I2 O75469 1/20 0.57
RPS6KA4 O75676 1/20 0.57
STK17B O94768 1/20 0.57
STK10 O94804 1/20 0.57

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
SCHEMBL900298 0.97 AXL (0.69) AXLKDREGFRFGFR1FLT1
SCHEMBL6430831 0.90 EGFR (0.78) AXLKDREGFRFGFR1FLT1
SCHEMBL6431410 0.90 EGFR (0.78) AXLKDREGFRFGFR1FLT1
Hydrochloric Acid SCHEMBL6882131 0.89 EGFR (0.77) AXLKDREGFRFGFR1FLT1
SCHEMBL12469293 0.88 KDR (0.59) AXLKDREGFRFGFR1FLT1
SCHEMBL6431249 0.85 RET (0.60) AXLKDREGFRFGFR1FLT1
SCHEMBL30000966 0.84 AXL (1.00) AXLKDREGFRFGFR1FLT1
SCHEMBL166239 0.84 AXL (1.00) AXLKDREGFRFGFR1FLT1
SCHEMBL14289180 0.84 AXL (1.00) AXLKDREGFRFGFR1FLT1
SCHEMBL6431449 0.84 FLT1 (0.71) AXLKDREGFRFGFR1FLT1

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 12 patents. 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
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
EP-2768796-A1 PROCESS FOR PREPARING QUINOLINE DERIVATIVES Exelixis, Inc. (US) 2014-08-27 EP disclosed
US-20140066444-A1 Method of Treating Cancer EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-20140057908-A1 Method of Treating Cancer EXELIXIS, INC. (US) 2014-02-27 US disclosed
EP-2621482-A1 DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES Exelixis, Inc. (US) 2013-08-07 EP disclosed
EP-2621483-A1 DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES Exelixis, Inc. (US) 2013-08-07 EP disclosed
US-20130197230-A1 METHODS OF PREPARING QUINOLINE DERIVATIVES EXELIXIS, INC. 2013-08-01 US disclosed
WO-2013059788-A1 PROCESS FOR PREPARING QUINOLINE DERIVATIVES EXELIXIS, INC. (US) 2013-04-25 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 4217/4885KDR 4364/4885EGFR 3461/4885
US-20130197230-A1 METHODS OF PREPARING QUINOLINE DERIVATIVES F12, RECQL, H1-2 AXL 3708/4885KDR 2714/4885EGFR 3112/4885
US-20140066444-A1 Method of Treating Cancer MET, HGF, ACP3 AXL 2179/4885KDR 8/4885EGFR 37/4885
US-20140057908-A1 Method of Treating Cancer MET, HGF, ACP3 AXL 2179/4885KDR 8/4885EGFR 37/4885

“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.