SCHEMBL3306566

SCHEMBL3306566

O=C1CCc2cc(-c3ccccc3)ccc2N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.69
CYP11B1 P15538 4/20 0.68
CYP11B2 P19099 4/20 0.68
CYP1A2 P05177 3/20 0.68
PDE3B Q13370 3/20 0.68
PDE3A Q14432 3/20 0.68
CYP2C9 P11712 2/20 0.68
TBXAS1 P24557 1/20 0.68
NPC1 O15118 2/20 0.59
MAPK13 O15264 1/20 0.59
MAPK12 P53778 1/20 0.59
MAPK11 Q15759 1/20 0.59
MAPK14 Q16539 1/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP2C19 P33261 1/20 0.57
PGR P06401 2/20 0.56
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
CRBN Q96SW2 1/20 0.54

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
SCHEMBL3311667 0.88 KIF11 (0.59) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3132725 0.86 PGR (0.73) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL4594845 0.85 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3307966 0.85 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3312587 0.85 KIF11 (0.72) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL14865934 0.85 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL4596554 0.85 KIF11 (0.68) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL13525229 0.84 CYP11B1 (0.62) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3309677 0.84 KIF11 (0.62) KIF11CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL29533407 0.84 CYP11B1 (0.62) KIF11CYP11B1CYP11B2CYP1A2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 KIF11 3077/4885CYP11B1 1655/4885CYP11B2 1716/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KIF11 3305/4885CYP11B1 1355/4885CYP11B2 1629/4885

“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.