SCHEMBL1091092

SCHEMBL1091092

O=C(O)COc1ccnc2c(C(F)(F)F)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.46
NR1H2 P55055 6/20 0.45
NR1H3 Q13133 6/20 0.45
PPARG P37231 1/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
LIMK1 P53667 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL16234628 0.89 GSK3A (0.45) PTGDR2NR1H2NR1H3PPARGGSK3A
SCHEMBL10203093 0.87 NR1H2 (0.43) KDM4EPTGDR2NR1H2NR1H3PPARG
SCHEMBL10165379 0.87 AR (0.47) ALDH1A1PTGDR2NR1H2NR1H3PPARG
SCHEMBL11984801 0.84 NR1H2 (0.41) KDM4EPTGDR2NR1H2NR1H3PPARG
SCHEMBL29877902 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDTDP1PTGDR2
SCHEMBL28669878 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDTDP1PTGDR2
SCHEMBL3282255 0.79 NOTUM (0.49) ALDH1A1GSK3AGSK3BDYRK3PRKD3
SCHEMBL16233330 0.78 NOTUM (0.48) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL8271684 0.78 NCF1 (0.49) NR1H2NR1H3GSK3AGSK3BDYRK3
SCHEMBL13045005 0.78 NCF1 (0.44) KDM4EPTGDR2NR1H2NR1H3GSK3A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
EP-1673357-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-28 EP disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 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 (4 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885ALDH1A1 2811/4885HPGD 1241/4885
US-20050137190-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885ALDH1A1 2811/4885HPGD 1241/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885ALDH1A1 2811/4885HPGD 1241/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 KDM4E 2385/4885ALDH1A1 2811/4885HPGD 1241/4885

“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.