SCHEMBL299642

SCHEMBL299642

C=CCN1C(=O)[N]c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 4/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 2/20 0.40
NSD2 O96028 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7436460 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPOLBKMT2A
SCHEMBL4753186 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPOLBKMT2A
SCHEMBL4750501 0.74 ADRA2A (0.44) ALDH1A1MAPTLMNAPKMCYP1A2
SCHEMBL2761355 0.74 ALDH1A1 (0.52) CASP3ALDH1A1MAPTPKMGAA
SCHEMBL7598272 0.73 NPSR1 (0.32)
SCHEMBL369600 0.72 GAA (0.49) CASP3ALDH1A1MAPTLMNAPKM
SCHEMBL4753129 0.72 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPKMCYP1A2
SCHEMBL11851052 0.72 L3MBTL1 (0.32) ALDH1A1MAPTLMNAPKMCYP1A2
SCHEMBL8185591 0.71 SLC9A1 (0.35) ALDH1A1MAPTLMNAPKML3MBTL1
SCHEMBL4952094 0.71 HTR2A (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037333-B2 Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2024-07-16 US disclosed
EP-4380920-A1 INHIBITORS FOR CORONAVIRUSES Cocrystal Pharma, Inc. (US) 2024-06-12 EP disclosed
WO-2023146880-A1 FUNCTIONALIZED ALLOPURINOL DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2023-08-03 WO disclosed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-20220056024-A1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION MERCK SHARP & DOHME LLC 2022-02-24 US disclosed
US-20220048897-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA INC (US) 2022-02-17 US disclosed
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
WO-2011036566-A1 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 WO disclosed
WO-2011038185-A2 METHODS FOR PREPARING PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 WO disclosed
WO-2010148197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-23 WO disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 WO disclosed
EP-2215089-A1 [1H- PYRAZOLO [3, 4-B]PYRIDINE-4-YL]-PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA Vertex Pharmaceuticals Incorporated (US) 2010-08-11 EP disclosed
US-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
WO-2009073300-A1 [1H- PYRAZOLO [3, 4-B] PYRIDINE-4-YL] -PHENYLE OR -PYRIDIN-2-YLE DERIVATIVES AS PROTEIN KINASE C-THETA VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-11 WO disclosed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 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 (8 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT CASP3 888/4885ALDH1A1 3437/4885MAPT 3302/4885
US-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CASP3 3309/4885ALDH1A1 4211/4885MAPT 770/4885
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CASP3 3237/4885ALDH1A1 672/4885MAPT 4780/4885
US-20220048897-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION ACE, IRF3, MIF CASP3 4743/4885ALDH1A1 2986/4885MAPT 3486/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 CASP3 2763/4885ALDH1A1 956/4885MAPT 4789/4885
US-20220056024-A1 PYRIDOPYRAZINE AND PYRIDOTRIAZINE INHIBITORS OF INFLUENZA VIRUS REPLICATION PLPBP, EIF2AK2, TYMP CASP3 3423/4885ALDH1A1 3955/4885MAPT 2240/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CASP3 3101/4885ALDH1A1 1603/4885MAPT 3571/4885
US-12037333-B2 Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication PLPBP, EIF2AK2, TYMP CASP3 3423/4885ALDH1A1 3955/4885MAPT 2240/4885

“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.