SCHEMBL2078087

SCHEMBL2078087

NC(=O)CN1CC=C(c2ncccc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.41
CCNT1 O60563 3/20 0.41
WNT3A P56704 1/20 0.40
TRPV1 Q8NER1 4/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL3436517 0.86 WNT3A (0.43) CDK9CCNT1WNT3ATRPV1SUV39H2
SCHEMBL2078054 0.79 KDM4E (0.43) CDK9CCNT1SUV39H2ALDH1A1SMN1; SMN2
SCHEMBL3435686 0.75 SIGMAR1 (0.42) CDK9CCNT1SMN1; SMN2KDM4ELMNA
SCHEMBL73964 0.74 GRM5 (0.60)
SCHEMBL3436230 0.72 CCNT1 (0.47) CDK9CCNT1SUV39H2KDM4ELMNA
SCHEMBL3435722 0.72 CCNT1 (0.40) CDK9CCNT1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3436391 0.70 KDM4E (0.45) CDK9CCNT1WNT3ASUV39H2SMN1; SMN2
SCHEMBL3434496 0.70 SIGMAR1 (0.40) CDK9CCNT1SUV39H2KDM4ELMNA
SCHEMBL3434233 0.70 CDK9 (0.52) CDK9CCNT1LMNASIGMAR1
SCHEMBL3434596 0.70 CCNT1 (0.52) CDK9CCNT1LMNASIGMAR1

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 6 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
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 3047/4885WNT3A 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.