SCHEMBL3567115

SCHEMBL3567115

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.41
CDK9 P50750 7/20 0.41
WNT3A P56704 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
HTR1A P08908 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL3435570 0.88 CCNT1 (0.38) CCNT1CDK9WNT3ASUV39H2KDM4E
SCHEMBL3436692 0.84 CCNT1 (0.44) CCNT1CDK9WNT3ASUV39H2KDM4E
SCHEMBL3436698 0.81 CDK9 (0.55) CCNT1CDK9
SCHEMBL3436391 0.80 KDM4E (0.45) CCNT1CDK9WNT3ASUV39H2KDM4E
SCHEMBL3436504 0.74 CDK9 (0.53) CCNT1CDK9WNT3ALMNA
SCHEMBL3556537 0.74 ALDH1A1 (0.44) KDM4EMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL3436524 0.73 CCNT1 (0.42) CCNT1CDK9KDM4EMAPTSMN1; SMN2
SCHEMBL3435568 0.72 CCNT1 (0.41) CCNT1CDK9WNT3ASUV39H2SMN1; SMN2
SCHEMBL3436505 0.72 CCNT1 (0.47) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL2078054 0.71 KDM4E (0.43) CCNT1CDK9SUV39H2KDM4EMAPT

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 3 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
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 648/4885WNT3A 3657/4885

“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.