SCHEMBL8138183

SCHEMBL8138183

Oc1nccc2c(C(F)(F)F)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
AXL P30530 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TNF P01375 1/20 0.39
CXCL8 P10145 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
NCF1 P14598 1/20 0.39
PARP1 P09874 1/20 0.39
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
FLT4 P35916 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL1536471 0.78 LMNA (0.49) CNR2AXLMEN1KMT2ANCF1
SCHEMBL24898089 0.75 KMO (0.32) CNR2CDK1CDK2CDK5KIF11
SCHEMBL31696363 0.75 LMNA (0.54) CNR2AXLMEN1KMT2ANCF1
SCHEMBL12055258 0.75 KDM4E (0.44) MEN1KMT2APARP1GSK3AGSK3B
SCHEMBL51697 0.74 IDO1 (0.46) PARP1GSK3AGSK3BPRKD3MAP4K4
SCHEMBL29478202 0.74 IDO1 (0.46) PARP1GSK3AGSK3BPRKD3MAP4K4
SCHEMBL909449 0.74 MEN1 (0.44) MEN1KMT2ATNFCXCL8PAX8
SCHEMBL15195542 0.74 SLC22A12 (0.43) CNR2AXLNCF1PARP1NR1H2
SCHEMBL12463974 0.74 TDO2 (0.40) CNR2AXLNCF1PARP1GSK3A
SCHEMBL3147240 0.74 TDO2 (0.44) CNR2KDM4ENR1H2NR1H3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CNR2 4830/4885AXL 4063/4885MEN1 4292/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CNR2 4830/4885AXL 4063/4885MEN1 4292/4885

“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.