SCHEMBL3387252

SCHEMBL3387252

O=C1CCCN1CCCNc1nc(Cl)ncc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PGK1 P00558 1/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TYRO3 Q06418 6/20 0.43
HPGD P15428 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
TBK1 Q9UHD2 2/20 0.42
CDK2 P24941 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
SCHEMBL3387132 0.97 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL22648277 0.88 TBK1 (0.45) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL22648266 0.87 TBK1 (0.41) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL1917052 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL3337053 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL22648255 0.84 TBK1 (0.40) MAPK1TYRO3IRAK4TBK1CDK2
SCHEMBL1917199 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL1916417 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL3389341 0.83 TBK1 (0.40) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL22648409 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2

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 10 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
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 2440/4885KDM4E 2587/4885HSD17B10 818/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 ALDH1A1 3376/4885KDM4E 1915/4885HSD17B10 3276/4885

“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.