SCHEMBL968707

SCHEMBL968707

N#Cc1cccc(-c2nnc3cccnn23)c1-c1ccccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA2 P47869 1/20 0.34
SCN9A Q15858 4/20 0.33
KCNN4 O15554 3/20 0.33
CNR2 P34972 1/20 0.33
PDK2 Q15119 1/20 0.33
PTGES O14684 1/20 0.33
PDE2A O00408 1/20 0.32
DHODH Q02127 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 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
SCHEMBL968709 0.92 HSD11B1 (0.38) HSD11B1DYRK1AKDM4EMAPTL3MBTL1
SCHEMBL968708 0.79 SMN1; SMN2 (0.36) DYRK1AKDM4EPDE4B
SCHEMBL1159554 0.78 GABRG2 (0.38) GABRA1GABRG2GABRB3GABRA2PDE4B
SCHEMBL27961681 0.68 AR (0.42) HSD11B1KDM4EMAPTL3MBTL1SCN9A
SCHEMBL16740273 0.68 MPL (0.40) HSD11B1KDM4EMAPTL3MBTL1SCN9A
SCHEMBL13861327 0.67 PDK2 (0.39) KDM4EMAPTL3MBTL1SCN9APDK2
SCHEMBL1042919 0.66 DCTPP1 (0.44) HSD11B1KDM4EGABRA1GABRG2GABRB3
SCHEMBL103547 0.65 GAA (0.46) PTGES
SCHEMBL1159323 0.63 CYP1A2 (0.61) DYRK1A
SCHEMBL29209813 0.62 MPL (0.42) PDK2

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 2716/4885DYRK1A 3347/4885KDM4E 2541/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 HSD11B1 2716/4885DYRK1A 3347/4885KDM4E 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.