SCHEMBL13432001

SCHEMBL13432001

O=C(NCCCNc1nc(Cl)ncc1C1CC1)C1CCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.68
MARK3 P27448 3/20 0.63
IKBKE Q14164 3/20 0.63
CDK2 P24941 2/20 0.63
BRSK2 Q8IWQ3 2/20 0.63
AURKB Q96GD4 2/20 0.63
MKNK1 Q9BUB5 2/20 0.63
PDPK1 O15530 1/20 0.61
STK17A Q9UEE5 2/20 0.56
MARK4 Q96L34 1/20 0.56
LRRK2 Q5S007 1/20 0.55
ULK3 Q6PHR2 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55

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
SCHEMBL13431995 0.98 TBK1 (0.65) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL13432088 0.87 TBK1 (0.67) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL22818572 0.87 STK17B (0.59) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL23331347 0.85 TBK1 (0.50) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL1284852 0.85 TBK1 (0.61) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL22818574 0.85 ULK1 (0.52) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL15188869 0.85 TBK1 (0.50) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL13431851 0.82 TBK1 (0.76) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL22818563 0.81 TBK1 (0.49) TBK1MARK3IKBKECDK2BRSK2
SCHEMBL13431907 0.81 TBK1 (1.00) TBK1MARK3IKBKECDK2BRSK2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-10-26 US disclosed
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-10-26 US disclosed
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO disclosed
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2021-05-06 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885MARK3 1239/4885IKBKE 1433/4885
US-20210128556-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TBK1 260/4885MARK3 398/4885IKBKE 1382/4885
US-11590134-B2 Aminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 TBK1 260/4885MARK3 398/4885IKBKE 1382/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 TBK1 38/4885MARK3 253/4885IKBKE 577/4885
US-20230338376-A1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TBK1 260/4885MARK3 398/4885IKBKE 1382/4885

“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.