Sugi Predict

Sugi Predict / Compounds / SCHEMBL5045994

SCHEMBL5045994

SCHEMBL5045994

Cc1ccc2nc3c(c(N)c2c1)CCN3c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.88
▸ ALDH1A1 P00352 10/20 0.88
▸ MAPT P10636 7/20 0.88
▸ HPGD P15428 6/20 0.88
▸ KMT2A Q03164 6/20 0.88
▸ MEN1 O00255 5/20 0.88
▸ LMNA P02545 4/20 0.88
▸ TSHR P16473 3/20 0.88
▸ HSD17B10 Q99714 3/20 0.88
▸ NPSR1 Q6W5P4 2/20 0.88
▸ SMN1; SMN2 Q16637 1/20 0.88
▸ GAA P10253 5/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ HTT P42858 1/20 0.69
▸ GLA P06280 2/20 0.66
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ POLB P06746 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ RAD52 P43351 1/20 0.62

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
SCHEMBL9851365 0.85 KDM4E (0.72) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL5049423 0.82 RAD52 (0.88) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL5578136 0.72 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL23909207 0.71 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL5578128 0.69 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL5047155 0.69 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL13696862 0.69 ACHE (0.67) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL22435548 0.68 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL31230012 0.68 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL2833129 0.68 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDKMT2A

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 18 patents. 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 — — US disclosed
WO-2021028439-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES CUREVAC AG (DE) 2021-02-18 — — WO disclosed
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2017-12-14 — — US disclosed
EP-3220912-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS Pharmacyclics LLC (US) 2017-09-27 — — EP disclosed
WO-2016081460-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC (US) 2016-05-26 — — WO disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 — — US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 — — US disclosed
US-7410975-B2 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-08-12 — — 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-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 — — US disclosed
US-20050119273-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2005-06-02 — — 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 (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-20050119273-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 KDM4E 1460/4885ALDH1A1 4582/4885MAPT 3823/4885
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 KDM4E 1460/4885ALDH1A1 4582/4885MAPT 3823/4885
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, TLR3, TLR9 KDM4E 1626/4885ALDH1A1 4770/4885MAPT 4647/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA KDM4E 1784/4885ALDH1A1 98/4885MAPT 4875/4885
US-20220296628-A1 RNA COMBINATIONS AND COMPOSITIONS WITH DECREASED IMMUNOSTIMULATORY PROPERTIES TLR3, EIF2AK2, STING1 KDM4E 3664/4885ALDH1A1 4395/4885MAPT 4179/4885

“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.