SCHEMBL3436043

SCHEMBL3436043

NC(=O)C1CCN(c2ncncc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.53
CYP3A4 P08684 1/20 0.51
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 6/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ABL1 P00519 1/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NEK2 P51955 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 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
SCHEMBL1939348 0.84 AKT2 (0.52) AKT2CYP3A4LMNATP53KDM4E
SCHEMBL1937485 0.84 AKT2 (0.52) AKT2CYP3A4LMNATP53KDM4E
SCHEMBL1937494 0.84 CYP3A4 (0.65) AKT2CYP3A4LMNATP53KDM4E
SCHEMBL4677574 0.79 CYP3A4 (0.48) AKT2CYP3A4LMNATP53KDM4E
SCHEMBL1938550 0.79 ALDH1A1 (0.60) AKT2CYP3A4LMNAKDM4ERECQL
Hydrochloric Acid SCHEMBL5383897 0.78 CYP3A4 (0.47) AKT2CYP3A4LMNATP53KDM4E
SCHEMBL3435695 0.77 CYP3A4 (0.52) AKT2CYP3A4LMNAKDM4ERECQL
SCHEMBL3568644 0.77 KDM4E (0.46) AKT2CYP3A4LMNATP53KDM4E
SCHEMBL3435131 0.77 CYP3A4 (0.46) AKT2CYP3A4LMNAKDM4ERECQL
SCHEMBL2080112 0.77 KDM4E (0.67) AKT2LMNAKDM4ERECQLNPC1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 AKT2 3154/4885CYP3A4 1991/4885LMNA 4712/4885

“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.