SCHEMBL3307966

SCHEMBL3307966

O=C1CCc2cc(-c3ccc(Cl)cc3)ccc2N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.68
PGR P06401 1/20 0.59
CYP11B1 P15538 4/20 0.58
CYP11B2 P19099 4/20 0.58
PDE3B Q13370 3/20 0.58
PDE3A Q14432 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 2/20 0.58
TBXAS1 P24557 1/20 0.58
AHR P35869 2/20 0.57
PKM P14618 3/20 0.57
TDP2 O95551 1/20 0.54
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 2/20 0.51
MMP12 P39900 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL1900155 0.86 AHR (0.77) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL1764573 0.86 AHR (0.70) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL3467770 0.85 KIF11 (0.61) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL3306566 0.85 KIF11 (0.69) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL4594845 0.83 KIF11 (0.68) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL3312587 0.83 KIF11 (0.72) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL4596554 0.83 KIF11 (0.68) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL14865934 0.83 KIF11 (0.68) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL4899671 0.83 KIF11 (0.62) KIF11PGRCYP11B1CYP11B2PDE3B
SCHEMBL4609019 0.81 KIF11 (0.57) KIF11PGRCYP11B1CYP11B2PDE3B

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 11 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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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 (3 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885PGR 592/4885CYP11B1 780/4885
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 KIF11 3077/4885PGR 3095/4885CYP11B1 1655/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KIF11 3305/4885PGR 3206/4885CYP11B1 1355/4885

“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.