SCHEMBL3436712

SCHEMBL3436712

Cc1cc(F)cc(F)c1C1=CCN(CC(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.42
CCNT1 O60563 5/20 0.42
BTK Q06187 4/20 0.40
WNT3A P56704 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 4/20 0.37
SUV39H2 Q9H5I1 1/20 0.36
ATM Q13315 1/20 0.35
HTR1A P08908 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
SCHEMBL3436026 0.86 CCNT1 (0.41) CDK9CCNT1BTKKDM4ESIGMAR1
SCHEMBL3436613 0.84 SIGMAR1 (0.42) CDK9CCNT1BTKWNT3AKDM4E
SCHEMBL3436711 0.81 CCNT1 (0.43) CDK9CCNT1BTKWNT3AKDM4E
SCHEMBL3435647 0.81 CDK9 (0.38) CDK9CCNT1BTKKDM4EMAPT
SCHEMBL3436504 0.81 CDK9 (0.53) CDK9CCNT1WNT3ASIGMAR1ATM
SCHEMBL3436698 0.78 CDK9 (0.55) CDK9CCNT1SIGMAR1
SCHEMBL3435686 0.74 SIGMAR1 (0.42) CDK9CCNT1BTKKDM4EMAPT
SCHEMBL3434496 0.74 SIGMAR1 (0.40) CDK9CCNT1KDM4EMAPTSIGMAR1
SCHEMBL3436614 0.72 CCNT1 (0.48) CDK9CCNT1WNT3AKDM4EMAPT
SCHEMBL3436391 0.72 KDM4E (0.45) CDK9CCNT1WNT3AKDM4EMAPT

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 5 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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 CDK9 648/4885CCNT1 3047/4885BTK 1128/4885

“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.