SCHEMBL10035741

SCHEMBL10035741

CN(C)c1cccc2c(C(C)(C)C)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CHEK1 O14757 1/20 0.48
NEK2 P51955 1/20 0.48
LIMK1 P53667 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42

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
SCHEMBL3439601 0.88 CHEK1 (0.53) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL8720110 0.82 CHEK1 (0.65) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL1201242 0.78 ALDH1A1 (0.46) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL29987688 0.78 ALDH1A1 (0.46) CA2CHEK1NEK2LIMK1DYRK1A
Hydrochloric Acid SCHEMBL2870378 0.76 ALDH1A1 (0.44) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL13845098 0.74 ALDH1A1 (0.59) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL24627048 0.73 MAPT (0.65) CA2CYP1A2TDP1L3MBTL1F2
SCHEMBL25721776 0.72 KDM4E (0.39) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL25711790 0.72 KDM4E (0.35) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL8990307 0.71 CHEK1 (0.73) CA2CHEK1NEK2LIMK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-18 US disclosed
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2023-10-05 US disclosed
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-08-08 US disclosed
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US disclosed
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2021-10-14 US disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 WO disclosed
US-9862680-B2 Peripherally substituted monocyclic beta-lactams UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-09 US disclosed
US-20170355671-A1 PERIPHERALLY SUBSTITUTED MONOCYCLIC BETA-LACTAMS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-12-14 US disclosed
US-20170355671-A1 PERIPHERALLY SUBSTITUTED MONOCYCLIC BETA-LACTAMS UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-12-14 US disclosed
US-20140037693-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-06 US disclosed
US-20130158063-A1 Compounds, Compositions and Methods Related to PPAR Antagonists GEORGETOWN UNIVERSITY (US) 2013-06-20 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-8445272-B2 Method of stimulating NKT with 6″-amino-6″-deoxygalactosylceramides THE SCRIPPS RESEARCH INSTITUTE (US) 2013-05-21 US disclosed
US-20120028915-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEACH INSTITUTE (US) 2012-02-02 US disclosed
US-7989423-B2 6″-amino-6″-deoxygalactosylceramides THE SCRIPPS RESEARCH INSTITUTE (US) 2011-08-02 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20100137231-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2010-06-03 US disclosed
US-7645873-B2 6-azido-2,3,4-tetra-O-benzyl-6-deoxymethylgalactopyranoside ; for treating cancer or autoimmune disorders THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-12 US disclosed
US-7288571-B2 Thyroid receptor ligands and method II KARO BIO AB (SE) 2007-10-30 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 (11 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-20170355671-A1 PERIPHERALLY SUBSTITUTED MONOCYCLIC BETA-LACTAMS GNE, BPGM, MGAM CA2 4545/4885CHEK1 2541/4885NEK2 2507/4885
US-20130158063-A1 Compounds, Compositions and Methods Related to PPAR Antagonists PPARG, PPARA, PPARD CA2 3790/4885CHEK1 2056/4885NEK2 1150/4885
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS TARDBP, TDP1, TDP2 CA2 4174/4885CHEK1 2614/4885NEK2 3338/4885
US-20100137231-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 CA2 1060/4885CHEK1 4258/4885NEK2 4409/4885
US-20210317097-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CA2 4223/4885CHEK1 639/4885NEK2 459/4885
US-20120028915-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 CA2 1060/4885CHEK1 4258/4885NEK2 4409/4885
US-20240023428-A1 ORGANIC ELECTROLUMINESCENT MATERIAL, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE L1CAM, EPCAM, SELE CA2 2500/4885CHEK1 3325/4885NEK2 1219/4885
US-20230312498-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 CA2 4223/4885CHEK1 639/4885NEK2 459/4885
US-11718595-B2 Non-ATP/catalytic site p38 Mitogen Activated Protein Kinase inhibitors MAPK1, MAPK8, MAPK4 CA2 4223/4885CHEK1 639/4885NEK2 459/4885
US-20140037693-A1 6\"-AMINO-6\"-DEOXYGALACTOSYLCERAMIDES FUT6, GALNT6, ST6GAL1 CA2 1060/4885CHEK1 4258/4885NEK2 4409/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 CA2 71/4885CHEK1 4354/4885NEK2 4682/4885

“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.