SCHEMBL3436613

SCHEMBL3436613

Cc1cccc(F)c1C1=CCN(CC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
KDM4E B2RXH2 5/20 0.41
CCNT1 O60563 6/20 0.41
CDK9 P50750 6/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
WNT3A P56704 1/20 0.38
BTK Q06187 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36
SUV39H2 Q9H5I1 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
SCHEMBL3435686 0.88 SIGMAR1 (0.42) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3436711 0.85 CCNT1 (0.43) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3436712 0.84 CDK9 (0.42) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3436614 0.83 CCNT1 (0.48) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3434227 0.82 SIGMAR1 (0.41) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3557785 0.81 MEN1 (0.37) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3436391 0.81 KDM4E (0.45) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3434496 0.78 SIGMAR1 (0.40) SIGMAR1KDM4ECCNT1CDK9MAPT
SCHEMBL3436504 0.77 CDK9 (0.53) SIGMAR1CCNT1CDK9LMNAWNT3A
SCHEMBL3436698 0.77 CDK9 (0.55) SIGMAR1CCNT1CDK9

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 4 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-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
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 SIGMAR1 1460/4885KDM4E 1834/4885CCNT1 3047/4885

“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.