SCHEMBL5047992

SCHEMBL5047992

Nc1c2c(nc3ccccc13)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 1.00
BCHE P06276 15/20 1.00
GRIN1 Q05586 10/20 0.93
GRIN2A Q12879 10/20 0.93
TSHR P16473 3/20 0.93
HSD17B10 Q99714 3/20 0.93
ALDH1A1 P00352 2/20 0.93
CYP1A2 P05177 2/20 0.93
CYP2D6 P10635 2/20 0.93
KDM4E B2RXH2 1/20 0.93
CACNB4 O00305 1/20 0.93
CACNA1A O00555 1/20 0.93
SLC22A2 O15244 1/20 0.93
SLC22A1 O15245 1/20 0.93
ABCC4 O15439 1/20 0.93
CACNA1G O43497 1/20 0.93
CACNG3 O60359 1/20 0.93
CACNA1F O60840 1/20 0.93
CACNA1H O95180 1/20 0.93
APP P05067 1/20 0.93

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
SCHEMBL30063279 1.00 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL7714835 0.96 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL2828 0.96 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL29681895 0.96 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL29594645 0.96 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL14236722 0.95 ACHE (0.97) ACHEBCHEGRIN1GRIN2ATSHR
SCHEMBL12043403 0.95 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL9407893 0.95 CYP1A2 (0.97) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL1044163 0.95 ACHE (1.00) ACHEBCHEGRIN1GRIN2ATSHR
Tacrine SCHEMBL8000475 0.95 ACHE (0.97) ACHEBCHEGRIN1GRIN2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2017-12-14 US claimed
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 EP claimed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 WO claimed
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2022-09-22 US disclosed
EP-4013880-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CureVac AG (DE) 2022-06-22 EP disclosed
CN-114502204-A RNA combinations and compositions with reduced immunostimulatory properties 库尔维科公司 2022-05-13 CN disclosed
US-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 US disclosed
WO-2021028439-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2021-02-18 WO disclosed
US-20190298841-A1 Nucleic Acid Complexes PROCARTA BIOSYSTEMS LTD (GB) 2019-10-03 US disclosed
US-10350299-B2 Nucleic acid complexes PROCARTA BIOSYSTEMS LTD. (GB) 2019-07-16 US disclosed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2019-02-14 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070060605-A1 Compositions and methods for inhibiting platelet activation and thrombosis FLAUMENHAFT ROBERT C 2007-03-15 US disclosed
US-7166612-B2 Methods for reducing platelet activation platelet aggregaton or thrombosis BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2007-01-23 US disclosed
US-20050119273-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2005-06-02 US disclosed
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis BETH ISRAEL DEACONESS MEDICAL CENTER 2004-07-29 US disclosed
EP-1406621-A2 COMPOSITIONS AND METHODS FOR INHIBITING PLATELET ACTIVATION AND THROMBOSIS Beth Israel Deaconess Medical Center (US) 2004-04-14 EP disclosed
WO-2003001968-A2 COMPOSITIONS AND METHODS FOR INHIBITING PLATELET ACTIVATION AND THROMBOSIS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2003-01-09 WO disclosed
US-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US 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 (10 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-20070060605-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 ACHE 3872/4885BCHE 4539/4885GRIN1 4341/4885
US-10350299-B2 Nucleic acid complexes ZFR, SUB1, RELA ACHE 4834/4885BCHE 4569/4885GRIN1 3867/4885
US-20050119273-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 ACHE 4643/4885BCHE 4206/4885GRIN1 566/4885
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 ACHE 4643/4885BCHE 4206/4885GRIN1 566/4885
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, TLR3, TLR9 ACHE 4883/4885BCHE 4393/4885GRIN1 1986/4885
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 ACHE 3056/4885BCHE 1184/4885GRIN1 2850/4885
US-20190298841-A1 Nucleic Acid Complexes ZFR, SUB1, RELA ACHE 4834/4885BCHE 4569/4885GRIN1 3867/4885
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 ACHE 3872/4885BCHE 4539/4885GRIN1 4341/4885
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES TLR3, EIF2AK2, STING1 ACHE 4829/4885BCHE 4715/4885GRIN1 2323/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 ACHE 3056/4885BCHE 1184/4885GRIN1 2850/4885

“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.