SCHEMBL3797171

SCHEMBL3797171

NC(=O)COC1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4cn[nH]c4)cn3c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
RBP4 P02753 5/20 0.36
PTK6 Q13882 7/20 0.35
LCK P06239 4/20 0.35
PROKR1 Q8TCW9 1/20 0.34
AURKB Q96GD4 3/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
KHK P50053 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
SCHEMBL3789346 0.90 PTK6 (0.38) RBP4PTK6LCKPROKR1AURKB
SCHEMBL3786082 0.89 PTK6 (0.36) RBP4PTK6LCKPROKR1AURKB
SCHEMBL3792576 0.89 PTK6 (0.37) PIK3CARBP4PTK6LCKPROKR1
SCHEMBL3792558 0.86 PROKR1 (0.37) PIK3CARBP4PTK6LCKPROKR1
SCHEMBL3793467 0.83 LIPG (0.37) PIK3CAPTK6LCKPROKR1AURKB
SCHEMBL3696844 0.83 PROKR1 (0.36) PIK3CAPTK6LCKPROKR1AURKB
Hydrochloric Acid SCHEMBL3695994 0.82 PROKR1 (0.36) PIK3CAPTK6LCKPROKR1AURKB
SCHEMBL3063347 0.82 PROKR1 (0.35) RBP4PTK6LCKPROKR1AURKB
SCHEMBL3792637 0.82 PROKR1 (0.39) PIK3CAPTK6LCKPROKR1AURKB
SCHEMBL3708965 0.82 RBP4 (0.46) RBP4ROCK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 AKT1 3345/4885PIK3CA 2396/4885MTOR 1202/4885

“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.