SCHEMBL968708

SCHEMBL968708

N#Cc1ccc(OC(F)(F)F)c(-c2ccccc2)c1-c1nnc2cccnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
DYRK1A Q13627 1/20 0.36
MBOAT4 Q96T53 1/20 0.33
GRM2 Q14416 3/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
LRRK2 Q5S007 2/20 0.32
HIF1A Q16665 1/20 0.31
EGLN2 Q96KS0 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MDM2 Q00987 1/20 0.31
AR P10275 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL968709 0.81 HSD11B1 (0.38) DYRK1APDE4APDE4BPDE4CPDE4D
SCHEMBL968707 0.79 HSD11B1 (0.38) DYRK1APDE4BKDM4E
SCHEMBL2750732 0.68 BRD4 (0.54) SMN1; SMN2ALDH1A1HPGDLMNAMAPK1
SCHEMBL1159554 0.68 GABRG2 (0.38) SMN1; SMN2ALDH1A1HPGDLMNAMAPK1
SCHEMBL9621203 0.62 MAOB (0.39) SMN1; SMN2ALDH1A1HPGDLMNAMAPK1
SCHEMBL9621205 0.60 MAOA (0.38) SMN1; SMN2ALDH1A1HPGDLMNAMAPK1
SCHEMBL30955913 0.59 MKNK1 (0.35) PDE4APDE4BPDE4CPDE4DEGLN2
SCHEMBL27577074 0.59 MAOA (0.49) ALDH1A1HPGDKDM4EAR
SCHEMBL27595202 0.59 AR (0.47) ALDH1A1HPGDKDM4EAR
SCHEMBL30281457 0.59 CDC7 (0.36) ALDH1A1HPGDLMNAMBOAT4KDM4E

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 SMN1; SMN2 1673/4885ALDH1A1 2432/4885HPGD 927/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SMN1; SMN2 1673/4885ALDH1A1 2432/4885HPGD 927/4885

“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.