SCHEMBL3337053

SCHEMBL3337053

O=C1CCCN1CCCNc1nc(Cl)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 6/20 0.54
HSD17B10 Q99714 4/20 0.54
LMNA P02545 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
PGK1 P00558 1/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ADORA1 P30542 1/20 0.47
HPGD P15428 3/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
HTT P42858 1/20 0.45
MALT1 Q9UDY8 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
SCHEMBL1917052 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL22648409 0.96 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL22635407 0.95 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL1917199 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL1916417 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL22648265 0.86 ULK1 (0.47) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL1916800 0.86 PGK1 (0.49) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL3333322 0.86 PGK1 (0.49) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL22648377 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10LMNARAB9A
SCHEMBL1916889 0.85 PGK1 (0.48) ALDH1A1KDM4EHSD17B10LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966206-B1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2023-08-09 EP disclosed
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-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD ALDH1A1 252/4885KDM4E 2237/4885HSD17B10 2984/4885
US-20230047915-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885KDM4E 1769/4885HSD17B10 2988/4885
US-20200354346-A1 HETEROARYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885KDM4E 1769/4885HSD17B10 2988/4885
US-11518758-B2 Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 ALDH1A1 2874/4885KDM4E 1769/4885HSD17B10 2988/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD ALDH1A1 252/4885KDM4E 2237/4885HSD17B10 2984/4885

“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.