SCHEMBL3389341

SCHEMBL3389341

CN1CCN(CCCNc2nc(Cl)ncc2C2CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.40
IKBKE Q14164 3/20 0.40
CDK2 P24941 2/20 0.40
MARK3 P27448 2/20 0.40
BRSK2 Q8IWQ3 2/20 0.40
AURKB Q96GD4 2/20 0.40
MKNK1 Q9BUB5 2/20 0.40
ULK1 O75385 2/20 0.38
ULK2 Q8IYT8 2/20 0.38
LRRK2 Q5S007 1/20 0.36
ULK3 Q6PHR2 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
STK17A Q9UEE5 1/20 0.36

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
SCHEMBL3387252 0.83 ALDH1A1 (0.48) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3386145 0.82 TBK1 (0.39) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3387132 0.82 ALDH1A1 (0.45) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL22648255 0.80 TBK1 (0.40) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL27087784 0.79 TBK1 (0.44) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL30800587 0.79 TBK1 (0.44) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL22648277 0.79 TBK1 (0.45) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL22648266 0.79 TBK1 (0.41) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL3389058 0.77 TBK1 (0.61) TBK1IKBKEMARK3ULK1ULK2
SCHEMBL4060099 0.77 TBK1 (0.39) TBK1IKBKECDK2MARK3BRSK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-02-16 US disclosed
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2022-12-06 US disclosed
WO-2020231808-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2020-11-19 WO disclosed
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2020-11-12 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
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
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 (4 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 2898/4885IKBKE 1433/4885CDK2 393/4885
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TBK1 270/4885IKBKE 1022/4885CDK2 264/4885
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 TBK1 270/4885IKBKE 1022/4885CDK2 264/4885
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 TBK1 270/4885IKBKE 1022/4885CDK2 264/4885

“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.