SCHEMBL3568644

SCHEMBL3568644

NC(=O)C1CCN(c2ncc(F)cc2N)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
ABL1 P00519 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.45
AKT2 P31751 1/20 0.45
NEK2 P51955 2/20 0.45
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MALT1 Q9UDY8 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4677574 0.86 CYP3A4 (0.48) KDM4ELMNAABL1CYP3A4RECQL
SCHEMBL3436507 0.85 KDM4E (0.51) KDM4ELMNAABL1CYP3A4RECQL
Hydrochloric Acid SCHEMBL5383897 0.84 CYP3A4 (0.47) KDM4ELMNAABL1CYP3A4RECQL
SCHEMBL3435695 0.83 CYP3A4 (0.52) KDM4ELMNAABL1CYP3A4RECQL
SCHEMBL3435131 0.83 CYP3A4 (0.46) KDM4ELMNAABL1CYP3A4RECQL
SCHEMBL3543466 0.81 LGMN (0.54) KDM4ELMNARECQLALDH1A1TDP1
SCHEMBL3435672 0.78 NEK2 (0.46) KDM4ELMNAABL1CYP3A4RECQL
SCHEMBL3549279 0.78 KDM4E (0.49) KDM4EABL1NEK2ALDH1A1TDP1
SCHEMBL3436043 0.77 AKT2 (0.53) KDM4ELMNAABL1CYP3A4RECQL
SCHEMBL3434295 0.77 CYP1A2 (0.44) KDM4ELMNACYP3A4ALDH1A1OPRK1

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 KDM4E 1834/4885LMNA 4712/4885ABL1 174/4885

“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.