SCHEMBL968709

SCHEMBL968709

N#Cc1cccc(-c2ccccc2OC(F)(F)F)c1-c1nnc2cccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
KCNN4 O15554 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DYRK1A Q13627 1/20 0.34
CNR2 P34972 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGES O14684 1/20 0.33
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PLAT P00750 1/20 0.32
PDE2A O00408 1/20 0.32
DHODH Q02127 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 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
SCHEMBL968707 0.92 HSD11B1 (0.38) HSD11B1KCNN4KDM4EMAPTL3MBTL1
SCHEMBL968708 0.81 SMN1; SMN2 (0.36) KDM4EDYRK1APDE4BPDE4APDE4C
SCHEMBL1159554 0.75 GABRG2 (0.38) PDE4BPDE4APDE4CPDE4DGABRA1
SCHEMBL27961681 0.71 AR (0.42) HSD11B1KCNN4KDM4EMAPTL3MBTL1
SCHEMBL16740273 0.66 MPL (0.40) HSD11B1KDM4EMAPTL3MBTL1CNR2
SCHEMBL103547 0.65 GAA (0.46) PTGES
SCHEMBL13861327 0.65 PDK2 (0.39) KDM4EMAPTL3MBTL1PDK2PTGES
SCHEMBL13861326 0.64 AR (0.38) KDM4EMAPTL3MBTL1PDK2PDE4B
SCHEMBL1042919 0.63 DCTPP1 (0.44) HSD11B1KDM4EPDE2APDE10AGABRA1
SCHEMBL7701143 0.63 ALDH1A1 (0.50) HSD11B1KCNN4KDM4EMAPTL3MBTL1

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-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 HSD11B1 2716/4885KCNN4 19/4885KDM4E 2541/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 HSD11B1 2716/4885KCNN4 19/4885KDM4E 2541/4885

“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.