SCHEMBL3556355

SCHEMBL3556355

Cc1cc(C#N)ccc1N1CCN(CNO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 4/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP14 P50281 2/20 0.47
ADAM17 P78536 2/20 0.47
PARP1 P09874 2/20 0.44
TNK2 Q07912 1/20 0.44
TNK1 Q13470 1/20 0.44
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
DRD2 P14416 6/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3551695 0.89 FFAR4 (0.48) ADAM10MMP2MMP9MMP14ADAM17
SCHEMBL3553897 0.81 IGF1R (0.53) MAPTGAARAD52GFERDRD2
SCHEMBL3436495 0.79 ADAM10 (0.45) ADAM10MMP2MMP9MMP14ADAM17
SCHEMBL3546173 0.79 DRD2 (0.51) PARP1MAPTGAARAD52GFER
SCHEMBL3559948 0.76 RAD52 (0.45) PARP1MAPTGAARAD52GFER
SCHEMBL21714174 0.75 HTR3A (0.58) ADAM10MMP2MMP9MMP14ADAM17
SCHEMBL31514814 0.75 HTR3A (0.58) ADAM10MMP2MMP9MMP14ADAM17
SCHEMBL3550856 0.75 HTR7 (0.51) MAPTGAADRD2DRD3HTT
SCHEMBL531910 0.75 HTR3A (0.58) ADAM10MMP2MMP9MMP14ADAM17
SCHEMBL532719 0.75 HTT (0.49) ADAM10MMP2MMP9MMP14ADAM17

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 ADAM10 4764/4885MMP2 4446/4885MMP9 4613/4885

“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.