SCHEMBL5847575

SCHEMBL5847575

CCOC(=O)CC(C(=O)c1ccc2ccccc2c1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CYP2D6 P10635 2/20 0.39
KCNH2 Q12809 2/20 0.39
P2RY12 Q9H244 1/20 0.39
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL23587032 0.90 CYP2A6 (0.42) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL17736028 0.89 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNACYP1A1CYP1A2
SCHEMBL1598510 0.85 MEN1 (0.44) SMN1; SMN2ALDH1A1LMNACYP1A1GAA
SCHEMBL16061977 0.83 CCNC (0.40) SMN1; SMN2ALDH1A1LMNACYP1A1CYP1A2
SCHEMBL4672007 0.81 LTA4H (0.42) LMNACYP1A2NPC1MAPTNAMPT
SCHEMBL16092097 0.80 CDC25B (0.48) SMN1; SMN2ALDH1A1LMNACYP1A2KDM4E
SCHEMBL11740036 0.76 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAGAANPC1
SCHEMBL1375091 0.74 LMNA (0.57) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL21243066 0.73 CYP2A6 (0.37) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL31478197 0.73 LMNA (0.50) SMN1; SMN2ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842424-B1 MAP KINASE MODULATORS AND USES THEREOF IN THE TRETAMENT OF TAUOPATHIES UNIV COLUMBIA (US) 2024-12-11 EP disclosed
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 US disclosed
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 US disclosed
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2022-01-13 US disclosed
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2022-01-13 US disclosed
US-11149020-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-10-19 US disclosed
US-11149020-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-10-19 US disclosed
EP-3842424-A1 MAP KINASE MODULATORS AND USES THEREOF IN THE TRETAMENT OF TAUOPATHIES The Trustees of Columbia University in the City of New York (US) 2021-06-30 EP disclosed
EP-3521284-B1 PYRAZINE COMPOUNDS AS MAP KINASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-12-02 EP disclosed
EP-3521284-B1 PYRAZINE COMPOUNDS AS MAP KINASE MODULATORS AND USES THEREOF UNIV COLUMBIA (US) 2020-12-02 EP disclosed
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-05-12 US disclosed
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-05-12 US disclosed
US-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-05-12 US disclosed
EP-2968322-A2 MAP KINASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2016-01-20 EP disclosed
WO-2014145485-A2 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 WO disclosed
WO-2014145485-A2 MAP KINASE MODULATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 WO disclosed
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US disclosed
EP-1506186-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2005-02-16 EP disclosed
WO-2003099808-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-12-04 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 (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-20160130253-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 SMN1; SMN2 103/4885ALDH1A1 2033/4885LMNA 1813/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 SMN1; SMN2 103/4885ALDH1A1 2033/4885LMNA 1813/4885
US-11149020-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 SMN1; SMN2 103/4885ALDH1A1 2033/4885LMNA 1813/4885
US-20050038010-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 SMN1; SMN2 7/4885ALDH1A1 2237/4885LMNA 3885/4885
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 SMN1; SMN2 103/4885ALDH1A1 2033/4885LMNA 1813/4885

“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.