Sugi Predict

Sugi Predict / Compounds / SCHEMBL5105409

SCHEMBL5105409

SCHEMBL5105409

N#Cc1c(F)cc(N2CCOCC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ LMNA P02545 4/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KHK P50053 1/20 0.45
▸ EGLN2 Q96KS0 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL16256305 0.89 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5109089 0.85 MEN1 (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6223965 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5110698 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24089640 0.79 MAPK1 (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8295828 0.79 DRD2 (0.51) KDM4EALDH1A1EGLN2TRPV4TP53
SCHEMBL1237566 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5117647 0.76 DPP4 (0.46) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL5220716 0.76 DPP4 (0.46) KDM4ETRPV4
SCHEMBL594313 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117970-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2022-04-21 — — US disclosed
US-11065253-B2 Arylquinazolines MERCK PATENT GMBH (DE) 2021-07-20 — — US disclosed
US-20200069690-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2020-03-05 — — US disclosed
US-10383874-B2 Arylquinazolines MERK PATENT GMBH (DE) 2019-08-20 — — US disclosed
US-20190142833-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2019-05-16 — — US disclosed
US-10172859-B2 Arylquinazolines MERCK PATENT GMBH (DE) 2019-01-08 — — US disclosed
EP-2994467-B1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2018-08-01 — — EP disclosed
US-20170290836-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2017-10-12 — — US disclosed
US-20170290836-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2017-10-12 — — US disclosed
US-9732094-B2 Arylquinazolines MERCK PATENT GMBH (DE) 2017-08-15 — — US disclosed
US-9732094-B2 Arylquinazolines MERCK PATENT GMBH (DE) 2017-08-15 — — US disclosed
US-20160083401-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2016-03-24 — — US disclosed
US-20160083401-A1 ARYLQUINAZOLINES MERCK PATENT GMBH (DE) 2016-03-24 — — US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 — — US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 — — US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 — — US disclosed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 — — EP disclosed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 — — US disclosed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 — — 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 (9 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-20190142833-A1 ARYLQUINAZOLINES CHEK2, CHEK1, MAP3K19 KDM4E 1753/4885ALDH1A1 2136/4885HPGD 1652/4885
US-20170290836-A1 ARYLQUINAZOLINES CHEK2, CHEK1, MAP3K19 KDM4E 1753/4885ALDH1A1 2136/4885HPGD 1652/4885
US-20220117970-A1 ARYLQUINAZOLINES CHEK2, CHEK1, MAP3K19 KDM4E 1753/4885ALDH1A1 2136/4885HPGD 1652/4885
US-20160083401-A1 ARYLQUINAZOLINES CHEK2, CHEK1, MAP3K19 KDM4E 1753/4885ALDH1A1 2136/4885HPGD 1652/4885
US-10383874-B2 Arylquinazolines CHEK2, CHEK1, ATM KDM4E 1868/4885ALDH1A1 2596/4885HPGD 2415/4885
US-10172859-B2 Arylquinazolines CHEK2, CHEK1, ATM KDM4E 1868/4885ALDH1A1 2596/4885HPGD 2415/4885
US-20050038104-A1 Substitute benzothiophene compounds TST, SULT1E1, LTC4S KDM4E 2321/4885ALDH1A1 193/4885HPGD 533/4885
US-11065253-B2 Arylquinazolines CHEK2, CHEK1, MAP3K19 KDM4E 1753/4885ALDH1A1 2136/4885HPGD 1652/4885
US-20200069690-A1 ARYLQUINAZOLINES CHEK2, CHEK1, MAP3K19 KDM4E 1753/4885ALDH1A1 2136/4885HPGD 1652/4885

“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.