SCHEMBL65546

SCHEMBL65546

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.53
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
HIF1A Q16665 4/20 0.43
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
DGAT1 O75907 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
USP30 Q70CQ3 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
CA2 P00918 1/20 0.38
CISD2 Q8N5K1 1/20 0.37

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
SCHEMBL1646602 0.90 AAK1 (0.52) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL4822133 0.89 AAK1 (0.59) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL15882115 0.88 AAK1 (0.48) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL30931999 0.88 AAK1 (0.50) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL21626169 0.87 HIF1A (0.46) AAK1HIF1ADGAT1SMN1; SMN2CA1
SCHEMBL65795 0.86 AAK1 (0.49) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL3763011 0.86 AAK1 (0.49) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL16156534 0.86 PRMT5 (0.50) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL15184583 0.85 AAK1 (0.51) AAK1PRMT5WDR77HIF1ABACE1
SCHEMBL65967 0.85 AAK1 (0.51) AAK1PRMT5WDR77HIF1ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 US disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
WO-2020030925-A1 HETEROCYCLIC SUBSTITUTED UREAS, FOR USE AGAINST CANCER ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed
WO-2020030925-A1 HETEROCYCLIC SUBSTITUTED UREAS, FOR USE AGAINST CANCER ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed
US-9833440-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2017-06-08 US disclosed
EP-2807172-B1 PYRIMIDOOXAZOCINE DERIVATIVES AS MTOR-INHIBITORS SANOFI SA (FR) 2016-11-30 EP disclosed
US-9120812-B2 Pyrimidooxazocine derivatives as mTOR-inhibitors SANOFI (FR) 2015-09-01 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES ADAMS JERRY LEROY 2009-01-29 US disclosed
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP disclosed
US-20070293489-A1 Substituted Pyrazolopyrimidines ADAMS JERRY 2007-12-20 US disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
US-7217710-B2 Substituted pyrazolopyrimidines SMITHKLINE BEECHAM CORPORATION (US) 2007-05-15 US disclosed
EP-1432714-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-19 EP disclosed
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1432714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-30 EP disclosed
WO-2003029209-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 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 (7 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 AAK1 4079/4885PRMT5 3390/4885WDR77 3392/4885
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT AAK1 2317/4885PRMT5 756/4885WDR77 2973/4885
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR AAK1 2110/4885PRMT5 2673/4885WDR77 4257/4885
US-20070293489-A1 Substituted Pyrazolopyrimidines DPYD, TPMT, TYMP AAK1 3054/4885PRMT5 1015/4885WDR77 2840/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB AAK1 2874/4885PRMT5 329/4885WDR77 2621/4885
US-20090029989-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES DPYD, TPMT, TYMP AAK1 3054/4885PRMT5 1015/4885WDR77 2840/4885
US-20040198751-A1 Pyrazolo-pyrimidine compound; anticancer agents DPYD, TYMP, TYMS AAK1 1812/4885PRMT5 1355/4885WDR77 2838/4885

“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.