SCHEMBL14244191

SCHEMBL14244191

CC1(C)COC(c2cccc(N)n2)=N1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.78
ASIC3 Q9UHC3 1/20 0.41
HRH3 Q9Y5N1 2/20 0.37
IDH1 O75874 3/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8855999 0.88 KDM4E (1.00) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7175648 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7171692 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7171435 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7174211 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7181592 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7176715 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
Hydrochloric Acid SCHEMBL7173148 0.85 KDM4E (0.93) KDM4EHRH3HTTALDH1A1ATM
SCHEMBL20410986 0.82 KDM4E (0.87) KDM4EHRH3HTTALDH1A1ATM
SCHEMBL8574837 0.81 KDM4E (0.78) KDM4EHRH3IDH1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598351-B2 Phospho-amino pincer-type ligands and catalytic metal complexes thereof KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2013-12-03 US disclosed
US-20120323007-A1 PHOSPHO-AMINO PINCER-TYPE LIGANDS AND CATALYTIC METAL COMPLEXES THEREOF KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2012-12-20 US 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-20120323007-A1 PHOSPHO-AMINO PINCER-TYPE LIGANDS AND CATALYTIC METAL COMPLEXES THEREOF PIN4, PHOSPHO1, DNPEP KDM4E 3789/4885ASIC3 1376/4885HRH3 3557/4885

“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.