SCHEMBL20575973

SCHEMBL20575973

Fc1ccc(N2C=C3CCCN3C2c2ccc3[nH]ncc3c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ROCK2 O75116 6/20 0.36
ROCK1 Q13464 3/20 0.36
CCR2 P41597 2/20 0.36
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
CYP2D6 P10635 5/20 0.35
FASN P49327 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DDR1 Q08345 1/20 0.33
TRPA1 O75762 1/20 0.32
NOS1 P29475 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL20575525 0.92 FASN (0.35) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20575632 0.89 FASN (0.35) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20575584 0.88 SLC6A2 (0.35) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20574806 0.86 CCNC (0.38) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20575557 0.86 CCNC (0.39) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20575566 0.86 SLC6A2 (0.38) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20575608 0.85 FASN (0.37) CCNCCDK8ROCK2ROCK1CCR2
SCHEMBL20576413 0.85 FASN (0.37) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20576473 0.85 FASN (0.37) DRD4SIGMAR1CCNCCDK8ROCK2
SCHEMBL20575081 0.83 SLC6A2 (0.39) DRD4SIGMAR1CCNCCDK8ROCK2

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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 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 (2 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 DRD4 4825/4885SIGMAR1 2803/4885CCNC 2802/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 DRD4 4825/4885SIGMAR1 2803/4885CCNC 2802/4885

“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.