SCHEMBL14610232

SCHEMBL14610232

NC(=O)c1ccc2ccc3ccc(C(N)=O)nc3c2n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.68
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
NNMT P40261 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
PARP1 P09874 4/20 0.41
LCK P06239 1/20 0.39
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
CCR1 P32246 2/20 0.36
MAP3K14 Q99558 1/20 0.36
GRM2 Q14416 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
SCHEMBL21441804 0.88 PARP1 (0.59) PIM1KMT2AKDM4ENNMTCCNC
SCHEMBL12548430 0.84 PIM1 (0.62) PIM1KMT2AKDM4ELMNAPARP1
SCHEMBL4823327 0.82 PIM1 (0.69) PIM1KMT2AKDM4ECCNCCDK8
SCHEMBL3182339 0.82 PIM1 (1.00) PIM1KMT2AKDM4EPARP1ALDH1A1
SCHEMBL935079 0.82 PIM1 (0.54) PIM1KMT2AKDM4ENNMTCCNC
SCHEMBL16228010 0.80 PIM1 (0.57) PIM1KMT2AKDM4ELMNANNMT
SCHEMBL13977541 0.80 PIM1 (0.67) PIM1KMT2AKDM4ECCNCCDK8
SCHEMBL3956008 0.79 PIM1 (0.57) PIM1ALDH1A1
SCHEMBL8490359 0.79 PIM1 (0.65) PIM1KMT2AKDM4ELMNAPARP1
SCHEMBL1088781 0.77 KDM4E (0.67) PIM1KMT2AKDM4ELMNATSHR

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
CN-111116581-B 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2021-06-08 CN claimed
CN-111116581-A 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2020-05-08 CN claimed
US-20240390328-A1 PHARMACEUTICAL COMPOSITION CONTAINING AS ACTIVE INGREDIENT COMPOUND CONJUGATED TO G4 STRUCTURES OF CORONAVIRUSES FOR PREVENTION OR TREATMENT OF CORONAVIRUS INFECTIOUS DISEASES Research & Business Foundation Sungkyunkwan University (KR) 2024-11-28 US disclosed
CN-112342380-B Application method of hydrophobic extractant in cloud point extraction system 北京大学 2021-11-19 CN disclosed
CN-111116581-B 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2021-06-08 CN disclosed
CN-111116581-B 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2021-06-08 CN disclosed
CN-111116581-B 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2021-06-08 CN disclosed
CN-112342380-A Application method of hydrophobic extractant in cloud point extraction system 北京大学 2021-02-09 CN disclosed
CN-111116581-A 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2020-05-08 CN disclosed
CN-111116581-A 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2020-05-08 CN disclosed
CN-111116581-A 2, 9-diamide-1, 10-phenanthroline compound, and synthesis method and application thereof 清华大学 2020-05-08 CN disclosed
CN-103044420-A Phenanthroline derivative, as well as preparation method and application thereof UNIV SHANXI 2013-04-17 CN disclosed
WO-2007022307-A2 LIGANDS FOR METAL IONS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2007-02-22 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 (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-20240390328-A1 PHARMACEUTICAL COMPOSITION CONTAINING AS ACTIVE INGREDIENT COMPOUND CONJUGATED TO G4 STRUCTURES OF CORONAVIRUSES FOR PREVENTION OR TREATMENT OF CORONAVIRUS INFECTIOUS DISEASES SARS1, GTF3C4, GTF3C5 PIM1 879/4885KMT2A 4026/4885KDM4E 3404/4885

“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.