SCHEMBL3787574

SCHEMBL3787574

CN(C)c1c(N)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 3/20 0.48
NR4A2 P43354 3/20 0.46
CYP3A4 P08684 3/20 0.44
PIK3CA P42336 1/20 0.44
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CD44 P16070 1/20 0.34
AOC3 Q16853 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8999976 0.83 CYP3A4 (0.48) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL16746561 0.83 CYP1A2 (0.43) ALDH1A1TSHRCYP3A4KMT2AGAA
SCHEMBL26529872 0.78 ALDH1A1 (0.44) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL26119736 0.77 ALDH1A1 (0.42) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL21395985 0.74 ESR1 (0.40) ALDH1A1TSHRGAAKDM4ELMNA
SCHEMBL3787606 0.74 MAPT (0.44) ALDH1A1TSHRNR4A2KMT2AGAA
SCHEMBL18509851 0.74 CD44 (0.52) ALDH1A1TSHRCYP3A4PIK3CAKDM4E
SCHEMBL171322 0.73
SCHEMBL14382392 0.73 AOC3 (0.42) ALDH1A1TSHRNR4A2CYP3A4LMNA
SCHEMBL29512603 0.73 TSHR (0.43) ALDH1A1TSHRNR4A2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251079-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. 2022-08-11 US disclosed
CN-114391015-A Benzo [ b ] [1,8] naphthyridineacetic acid derivatives and methods of use 斯汀塞拉股份有限公司 2022-04-22 CN disclosed
EP-3969452-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. (US) 2022-03-23 EP disclosed
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE Stingthera, Inc. 2021-01-07 US disclosed
WO-2020232378-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. (US) 2020-11-19 WO disclosed
WO-2020232378-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. (US) 2020-11-19 WO disclosed
WO-2020232375-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. (US) 2020-11-19 WO disclosed
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use SILICON SWAT, INC. (US) 2020-08-18 US disclosed
US-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. 2019-05-30 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 (5 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-20190161449-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS ALDH1A1 1078/4885TSHR 4454/4885NR4A2 2420/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885TSHR 1688/4885NR4A2 888/4885
US-20220251079-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS ALDH1A1 985/4885TSHR 4225/4885NR4A2 681/4885
US-20210002230-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE STING1, IRF3, CGAS ALDH1A1 1078/4885TSHR 4454/4885NR4A2 2420/4885
US-10745358-B2 Oxoacridinyl acetic acid derivatives and methods of use STING1, IRF3, CGAS ALDH1A1 1078/4885TSHR 4454/4885NR4A2 2420/4885

“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.