SCHEMBL3434233

SCHEMBL3434233

NC(=O)CN1CC=C(c2cc(F)ccc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 16/20 0.52
CCNT1 O60563 14/20 0.52
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL3434596 0.90 CCNT1 (0.52) CDK9CCNT1SIGMAR1LMNAPMP22
SCHEMBL3436698 0.86 CDK9 (0.55) CDK9CCNT1SIGMAR1
SCHEMBL3436504 0.84 CDK9 (0.53) CDK9CCNT1SIGMAR1LMNAPMP22
SCHEMBL3435568 0.82 CCNT1 (0.41) CDK9CCNT1
SCHEMBL2078054 0.82 KDM4E (0.43) CDK9CCNT1SIGMAR1LMNAHTR1D
SCHEMBL3435570 0.80 CCNT1 (0.38) CDK9CCNT1LMNA
SCHEMBL3434496 0.78 SIGMAR1 (0.40) CDK9CCNT1SIGMAR1LMNAPMP22
SCHEMBL3436026 0.78 CCNT1 (0.41) CDK9CCNT1SIGMAR1LMNAPMP22
SCHEMBL3435686 0.75 SIGMAR1 (0.42) CDK9CCNT1SIGMAR1LMNA
SCHEMBL3436192 0.75 CCNT1 (0.47) CDK9CCNT1HTR1DHTR1B

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 CDK9 648/4885CCNT1 3047/4885SIGMAR1 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.