SCHEMBL3436026

SCHEMBL3436026

NC(=O)CN1CC=C(c2c(N)cc(F)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
SIGMAR1 Q99720 7/20 0.38
BTK Q06187 2/20 0.37
HTR1A P08908 2/20 0.36
CYP2D6 P10635 1/20 0.35
THPO P40225 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 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
SCHEMBL3436712 0.86 CDK9 (0.42) CCNT1CDK9SIGMAR1BTKHTR1A
SCHEMBL3435686 0.82 SIGMAR1 (0.42) CCNT1CDK9SIGMAR1BTKKDM4E
SCHEMBL3435647 0.82 CDK9 (0.38) CCNT1CDK9SIGMAR1BTKHTR1A
SCHEMBL3434596 0.80 CCNT1 (0.52) CCNT1CDK9SIGMAR1CYP2D6THPO
SCHEMBL3434496 0.80 SIGMAR1 (0.40) CCNT1CDK9SIGMAR1CYP2D6THPO
SCHEMBL3434233 0.78 CDK9 (0.52) CCNT1CDK9SIGMAR1LMNAPMP22
SCHEMBL3436711 0.75 CCNT1 (0.43) CCNT1CDK9SIGMAR1BTKCYP2D6
SCHEMBL3436613 0.75 SIGMAR1 (0.42) CCNT1CDK9SIGMAR1BTKSUV39H2
SCHEMBL3436504 0.72 CDK9 (0.53) CCNT1CDK9SIGMAR1LMNAPMP22
SCHEMBL3436698 0.72 CDK9 (0.55) CCNT1CDK9SIGMAR1

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 2 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

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 648/4885SIGMAR1 1460/4885

“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.