SCHEMBL2283374

SCHEMBL2283374

COc1cc2ncnc(Nc3ccc(F)c(C)c3F)c2cc1OC1CCC(=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.60
FLT1 P17948 3/20 0.60
FGFR1 P11362 2/20 0.60
EGFR P00533 13/20 0.59
RET P07949 3/20 0.58
KIF5B P33176 2/20 0.58
ERBB2 P04626 5/20 0.58
EPHB4 P54760 2/20 0.57
EPHB2 P29323 2/20 0.57
RIPK2 O43353 1/20 0.57
MET P08581 1/20 0.57
TEC P42680 1/20 0.57
EPHA4 P54764 1/20 0.57
BTK Q06187 1/20 0.57
KCNH2 Q12809 1/20 0.57
TNK1 Q13470 1/20 0.57
RIPK3 Q9Y572 1/20 0.57
EPHA2 P29317 3/20 0.56
FLT4 P35916 1/20 0.54

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
SCHEMBL2282948 0.88 EGFR (0.64) KDRFLT1FGFR1EGFRRET
SCHEMBL2287724 0.88 EGFR (0.64) KDRFLT1FGFR1EGFRRET
SCHEMBL2287647 0.86 EGFR (0.77) KDRFLT1FGFR1EGFRRET
SCHEMBL1549808 0.85 EGFR (0.78) KDRFLT1EGFRRETERBB2
SCHEMBL2286735 0.85 EGFR (0.63) KDRFLT1FGFR1EGFRRET
SCHEMBL12376369 0.83 KDR (0.57) KDRFLT1FGFR1EGFRRET
SCHEMBL2282023 0.82 ERBB2 (0.66) KDRFLT1EGFRRETKIF5B
SCHEMBL2286559 0.82 EGFR (0.78) KDRFLT1EGFRERBB2EPHB4
SCHEMBL2282936 0.82 FGFR1 (0.54) KDRFLT1FGFR1EGFRRET
SCHEMBL2286835 0.82 FGFR1 (0.54) KDRFLT1FGFR1EGFRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772298-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-8772298-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-8772298-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
US-8497369-B2 Spirocyclic heterocycles medicaments containing said compounds, use thereof and method for their production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-30 US disclosed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
US-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-24 US disclosed
EP-2245026-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION Boehringer Ingelheim International GmbH (DE) 2010-11-03 EP disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
WO-2009098061-A1 SPIROCYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed
WO-2008095847-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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-20110046148-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 KDR 2116/4885FLT1 1667/4885FGFR1 268/4885
US-20130281461-A1 Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production PKD1, BPHL, CYP11B2 KDR 2116/4885FLT1 1667/4885FGFR1 268/4885
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF RET, CYP11B2, CHUK KDR 896/4885FLT1 874/4885FGFR1 59/4885

“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.