SCHEMBL2611074

SCHEMBL2611074

CC(C)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.66
NPC1 O15118 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
KCNH2 Q12809 4/20 0.49
TBXAS1 P24557 3/20 0.49
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
MAPT P10636 3/20 0.48
MMP12 P39900 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7994021 0.90 KIF11 (0.56) KIF11KCNH2TBXAS1PDE3BPDE3A
SCHEMBL4899671 0.87 KIF11 (0.62) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL8917088 0.87 KCNH2 (0.53) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL20801733 0.87 KIF11 (0.52) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL9485923 0.87 KIF11 (0.52) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL22184244 0.87 KIF11 (0.52) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL2611058 0.86 CA9 (0.57) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL29754329 0.86 CA9 (0.57) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL9148322 0.85 KCNH2 (0.58) KIF11NPC1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL8917748 0.85 KIF11 (0.51) KIF11NPC1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KIF11 1532/4885NPC1 301/4885MAPK13 3256/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET KIF11 3936/4885NPC1 287/4885MAPK13 2544/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KIF11 3382/4885NPC1 2447/4885MAPK13 1410/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 KIF11 1770/4885NPC1 801/4885MAPK13 98/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA KIF11 1334/4885NPC1 746/4885MAPK13 142/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 KIF11 3744/4885NPC1 1490/4885MAPK13 2394/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA KIF11 2298/4885NPC1 699/4885MAPK13 260/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KIF11 1532/4885NPC1 301/4885MAPK13 3256/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB KIF11 3692/4885NPC1 1607/4885MAPK13 488/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET KIF11 3936/4885NPC1 287/4885MAPK13 2544/4885

“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.