SCHEMBL3787040

SCHEMBL3787040

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Cl)N1CC=C(c2cccnc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.35
PTK6 Q13882 2/20 0.35
LCK P06239 1/20 0.35
P2RX7 Q99572 4/20 0.34
ROCK2 O75116 1/20 0.33
AURKA O14965 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 2/20 0.32
PIM1 P11309 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL3784636 0.91 PTK6 (0.37) AURKBPTK6LCKROCK2PIK3CA
SCHEMBL3701859 0.87 TRPV1 (0.40) AURKBPTK6LCKROCK2
SCHEMBL3789942 0.86 PTK6 (0.35) AURKBPTK6LCKROCK2PIM1
SCHEMBL3797174 0.86 PTK6 (0.35) AURKBPTK6LCKROCK2PIK3CA
SCHEMBL3788870 0.86 PTK6 (0.35) AURKBPTK6LCKROCK2PIK3CA
SCHEMBL3793199 0.86 PTK6 (0.35) AURKBPTK6LCKROCK2PIK3CA
SCHEMBL3784631 0.86 PTK6 (0.34) AURKBPTK6LCKPDE3BPDE3A
SCHEMBL13228896 0.85 PTK6 (0.34) AURKBPTK6LCKROCK2PIK3CA
SCHEMBL3709902 0.85 KDM4E (0.35) AURKBPTK6LCKROCK2GAA
SCHEMBL3688887 0.85 ALDH1A1 (0.36) AURKBPTK6LCKP2RX7GAA

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 5 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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 AURKB 1908/4885PTK6 4396/4885LCK 2497/4885

“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.