SCHEMBL3436692

SCHEMBL3436692

Cc1ccc(C#N)cc1C1=CCN(CC(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.44
CDK9 P50750 5/20 0.44
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A4 P31645 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
WNT3A P56704 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NAMPT P43490 3/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
HTR1A P08908 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
SCHEMBL3435568 0.87 CCNT1 (0.41) CCNT1CDK9KMT2ASMN1; SMN2SLC6A4
SCHEMBL3567115 0.84 CCNT1 (0.41) CCNT1CDK9KMT2ASMN1; SMN2SUV39H2
SCHEMBL3436698 0.82 CDK9 (0.55) CCNT1CDK9
SCHEMBL3436391 0.79 KDM4E (0.45) CCNT1CDK9KMT2ASMN1; SMN2SUV39H2
SCHEMBL3436504 0.75 CDK9 (0.53) CCNT1CDK9WNT3A
SCHEMBL3457875 0.75 NAMPT (0.51) KDM4ENAMPT
SCHEMBL3457331 0.74 ADAM10 (0.45) CCNT1CDK9NAMPT
SCHEMBL3436505 0.74 CCNT1 (0.47) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3457923 0.72 SMN1; SMN2 (0.41) CCNT1CDK9KMT2ASMN1; SMN2KDM4E
SCHEMBL3457001 0.72 ALDH1A1 (0.43) CCNT1CDK9KMT2ASMN1; SMN2KDM4E

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 CCNT1 3047/4885CDK9 648/4885KMT2A 1707/4885

“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.