SCHEMBL2016645

SCHEMBL2016645

C=C1c2cc(-c3cccnc3)ccc2Oc2cc[nH]c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.40
CYP11B2 P19099 9/20 0.40
TDP2 O95551 2/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
BACE1 P56817 1/20 0.39
AURKA O14965 1/20 0.39
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
PGR P06401 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL18159648 0.74 CYP11B1 (0.55) CYP11B1CYP11B2TDP2BACE1PGR
SCHEMBL2015519 0.73 BACE1 (0.41) CYP11B1CYP11B2BACE1PGRKDM4E
SCHEMBL25666556 0.67 ABL1 (0.50) CYP11B1CYP11B2TDP2JAK2JAK3
SCHEMBL20232448 0.66 JAK2 (0.58) CYP11B1CYP11B2TDP2JAK2JAK3
SCHEMBL2014639 0.66 PGR (0.46) CYP11B1CYP11B2JAK2JAK3AURKA
SCHEMBL26462950 0.66 NOTUM (0.61) CYP11B1CYP11B2TDP2AURKATTK
SCHEMBL30494229 0.66 NOTUM (0.61) CYP11B1CYP11B2TDP2AURKATTK
SCHEMBL20222615 0.65 CYP2A6 (0.44) CYP11B1CYP11B2TDP2BACE1PGR
SCHEMBL2562110 0.65 CYP1A2 (0.62) CYP11B1CYP11B2PGRCYP1A2CYP19A1
SCHEMBL13507784 0.64 CYP11B1 (0.60) CYP11B1CYP11B2TDP2BACE1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CYP11B1 990/4885CYP11B2 1818/4885TDP2 2054/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CYP11B1 542/4885CYP11B2 1048/4885TDP2 2103/4885

“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.