SCHEMBL3043825

SCHEMBL3043825

CN(C)CCN(C)C(=O)c1ccc2[nH]c(-c3ccc(Cl)c4c3C(=O)NC4)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
AURKA O14965 7/20 0.42
KDR P35968 7/20 0.42
CDK1 P06493 1/20 0.42
PARP1 P09874 5/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MYLK Q15746 1/20 0.35
FFAR1 O14842 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL3042284 0.86 AURKA (0.39) AURKAKDRCDK1PARP1FFAR1
SCHEMBL3048016 0.86 PARP1 (0.53) HRH4AURKAKDRCDK1PARP1
SCHEMBL3047764 0.82 KDR (0.49) AURKAKDRCDK1PARP1FFAR1
SCHEMBL3047073 0.82 KDR (0.45) AURKAKDRCDK1PARP1F10
SCHEMBL3054768 0.81 AURKA (0.43) AURKAKDRCDK1PARP1ADORA2A
SCHEMBL3047567 0.79 PARP1 (0.39) HRH4AURKAKDRCDK1PARP1
Hydrochloric Acid SCHEMBL3038378 0.79 AURKA (0.43) AURKAKDRCDK1PARP1FFAR1
SCHEMBL3046155 0.78 AURKA (0.65) AURKAKDRCDK1
SCHEMBL3041519 0.78 HPGD (0.45) AURKAKDRCDK1PARP1FFAR1
Hydrochloric Acid SCHEMBL3050003 0.78 KDR (0.39) HRH4AURKAKDRCDK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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 (1 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 HRH4 45/4885AURKA 2312/4885KDR 3226/4885

“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.