SCHEMBL20575608

SCHEMBL20575608

Cc1cc(F)ccc1N1C=C2CCCN2C1c1ccc2[nH]ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.37
ROCK1 Q13464 4/20 0.35
ROCK2 O75116 3/20 0.35
CCR2 P41597 1/20 0.35
CHRNA7 P36544 2/20 0.35
MET P08581 1/20 0.35
RPS6KB1 P23443 2/20 0.35
RPS6KA1 Q15418 2/20 0.35
GRK2 P25098 1/20 0.35
GRK5 P34947 1/20 0.35
KCNH2 Q12809 1/20 0.34
TGFBR1 P36897 1/20 0.34
SLC6A2 P23975 7/20 0.34
SLC6A4 P31645 7/20 0.34
SLC6A3 Q01959 7/20 0.34
CYP2D6 P10635 5/20 0.34
GRIN2B Q13224 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL20575165 0.93 FASN (0.37) FASNROCK1ROCK2CCR2CHRNA7
SCHEMBL20576413 0.89 FASN (0.37) FASNROCK1ROCK2CCR2CHRNA7
SCHEMBL20576473 0.87 FASN (0.37) FASNROCK1ROCK2CCR2CHRNA7
SCHEMBL20575632 0.87 FASN (0.35) FASNROCK1ROCK2CCR2CHRNA7
SCHEMBL20575525 0.86 FASN (0.35) FASNROCK1ROCK2CCR2CHRNA7
SCHEMBL20575492 0.85 CYP2D6 (0.41) ROCK1ROCK2CCR2SLC6A2SLC6A4
SCHEMBL20575584 0.85 SLC6A2 (0.35) FASNROCK1ROCK2CCR2SLC6A2
SCHEMBL20575973 0.85 DRD4 (0.36) FASNROCK1ROCK2CCR2SLC6A2
SCHEMBL20575514 0.84 FASN (0.37) FASNROCK1ROCK2CCR2MET
SCHEMBL20575081 0.83 SLC6A2 (0.39) FASNROCK1ROCK2CCR2SLC6A2

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 FASN 3875/4885ROCK1 141/4885ROCK2 428/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 FASN 3875/4885ROCK1 141/4885ROCK2 428/4885

“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.